File: parity.nitrogen.mol

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, 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-- 520 bytes parent folder | download | duplicates (8) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
 

  Marvin  01260906353D          

  5  4  0  0  0  0            999 V2000
   -1.0166   -1.0569    2.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -1.0787    1.4483 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2428   -0.1856    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060   -0.2285   -0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -0.4672    2.3759 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END