File: test33.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 (14 lines) | stat: -rw-r--r-- 500 bytes parent folder | download | duplicates (10) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
 
12
[O-]c1ccccc1[O-]
O      2.708177    0.491884    0.055658
C      1.339403    0.251927    0.026919
C      0.446060    1.324496   -0.078255
C     -0.932204    1.087917   -0.107548
C     -1.419280   -0.220833   -0.031766
C     -0.528500   -1.294097    0.073371
C      0.851253   -1.059707    0.102866
O      1.732624   -2.129379    0.207437
H      0.819525    2.338927   -0.137129
H     -1.622020    1.917985   -0.188891
H     -2.485907   -0.403234   -0.054483
H     -0.909131   -2.305885    0.131822