File: parity.simple2.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  01200921453D          

  6  5  0  0  0  0            999 V2000
    1.5451   -0.6263    2.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435   -0.8584    1.4852 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0621    0.3372    0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396    0.2045   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779   -1.1250    2.6290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5009   -2.6647    0.3896 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