File: iChi4c.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 (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  08200814552D          

  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
   -3.6830    2.8727    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
   -3.6771    0.2814    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