File: adjustqueryprops_fivering_5.mol

package info (click to toggle)
rdkit 202209.3-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 203,880 kB
  • sloc: cpp: 334,239; python: 80,247; ansic: 24,579; java: 7,667; sql: 2,123; yacc: 1,884; javascript: 1,358; lex: 1,260; makefile: 576; xml: 229; fortran: 183; cs: 181; sh: 101
file content (22 lines) | stat: -rw-r--r-- 476 bytes parent folder | download | duplicates (5)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
all carbon saturated
  Mrv2007 05282011072D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 5 5 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.9583 2.185 0 0
M  V30 2 C -6.2042 1.2798 0 0
M  V30 3 C -5.7283 -0.1848 0 0
M  V30 4 C -4.1883 -0.1848 0 0
M  V30 5 C -3.7125 1.2798 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 4
M  V30 3 1 1 5
M  V30 4 1 2 3
M  V30 5 1 4 5
M  V30 END BOND
M  V30 END CTAB
M  END