File: test34.xyz

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: 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 (9 lines) | stat: -rw-r--r-- 296 bytes parent folder | download | duplicates (10)
1
2
3
4
5
6
7
8
9
7
C[N+](=O)[O-]
C     -0.648004   -0.013876    0.022202
N      0.798904    0.043104   -0.114669
O      1.371037    1.149599   -0.186631
O      1.546587   -1.089153    0.107980
H     -1.121051    0.778847   -0.595689
H     -1.020512   -1.002452   -0.319580
H     -0.926961    0.133929    1.086387