File: input_SDGenerator_test_2b.mol

package info (click to toggle)
ball 1.4.3~beta1-3
  • links: PTS, VCS
  • area: main
  • in suites: stretch
  • size: 318,984 kB
  • sloc: cpp: 346,579; ansic: 4,097; python: 2,664; yacc: 1,778; lex: 1,099; xml: 964; sh: 688; sql: 316; awk: 118; makefile: 108
file content (24 lines) | stat: -rw-r--r-- 995 bytes parent folder | download | duplicates (9)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24

      BALL 1.2nonpublic (Jun  7 2006, 16:29:44)

 10  9  0999  0  0  0  0  0  0999 V2000
   -3.0000    5.1956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    8.6603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END