File: parity.simple1.mol

package info (click to toggle)
rdkit 201603.5-2
  • links: PTS, VCS
  • area: main
  • in suites: stretch
  • size: 72,364 kB
  • ctags: 18,217
  • sloc: cpp: 167,966; python: 58,855; java: 5,318; ansic: 5,239; sql: 1,908; yacc: 1,553; lex: 1,131; makefile: 418; xml: 229; sh: 192; fortran: 183; cs: 93
file content (16 lines) | stat: -rw-r--r-- 612 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16

  Marvin  01200921493D          

  6  5  0  0  0  0            999 V2000
   -1.0730   -1.1748    2.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485   -0.8703    1.5877 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5612    0.2484    0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.6259   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4836   -0.4187    2.3454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -2.6883    0.5324 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
  2  6  1  0  0  0  0
M  END