File: iChi4a.mol

package info (click to toggle)
rdkit 201203-3
  • links: PTS, VCS
  • area: main
  • in suites: wheezy
  • size: 37,840 kB
  • sloc: cpp: 93,902; python: 51,897; java: 5,192; ansic: 3,497; xml: 2,499; sql: 1,641; yacc: 1,518; lex: 1,076; makefile: 325; fortran: 183; sh: 153; cs: 51
file content (22 lines) | stat: -rw-r--r-- 888 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
22

  Marvin  08200814512D          

  9  8  0  0  0  0            999 V2000
   -1.9152    1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0902    1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068    2.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3277    0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3277    2.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1527    2.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652    3.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1527    0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7360    1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END