File: 5786d05453bb20fc380a54f73152bdffe7a0fb98

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 (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
   -0.7839    1.0001   -0.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5596   -0.1794    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -0.9729    0.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8711   -0.4048    0.2794 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.9003    0.5570   -0.1221 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