File: dff7ba6c3ecae59fb174cc3bf2d9753ba125e52c

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 (15 lines) | stat: -rw-r--r-- 494 bytes parent folder | download | duplicates (6) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
 

     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.4663    0.7934    0.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415   -0.0358   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786   -1.0371   -0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864    0.4846    0.3200 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0000   -0.2051   -0.1205 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
M  RAD  1   4   2
M  END000