File: test5.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     -0.647160   -0.041549   -0.007221
N      0.799054    0.072631    0.097427
O      1.324555    1.198279    0.214090
O      1.588792   -1.012121   -0.202963
H     -1.137472    0.696179    0.663096
H     -0.967422   -1.062140    0.290582
H     -0.960348    0.148722   -1.055011