File: core_location.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 (21 lines) | stat: -rw-r--r-- 818 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21

  Marvin  03031105412D          

  8  8  0  0  0  0            999 V2000
   -1.2670    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670    0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525    0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670    2.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    0.4420    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END