File: ammonia.mol

package info (click to toggle)
rdkit 202503.6-3
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 222,000 kB
  • sloc: cpp: 411,111; python: 78,482; ansic: 26,181; java: 8,285; javascript: 4,404; sql: 2,393; yacc: 1,626; lex: 1,267; cs: 1,090; makefile: 581; xml: 229; fortran: 183; sh: 121
file content (12 lines) | stat: -rw-r--r-- 391 bytes parent folder | download | duplicates (4) 
1
2
3
4
5
6
7
8
9
10
11
12
 

     RDKit          3D

  4  3  0  0  0  0  0  0  0  0999 V2000
    0.0064   -0.0023    0.2955 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211   -0.1732   -0.1197 H   0  0  0  0  0  1  0  0  0  0  0  0
   -0.6144   -0.7120   -0.0909 H   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3130    0.8874   -0.0850 H   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
M  END