File: input_SDGenerator_test_2.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 (15 lines) | stat: -rw-r--r-- 552 bytes parent folder | download | duplicates (9) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
 

      BALL 1.1pre3 (Nov 14 2004, 23:53:29)

  5  5  0999  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180    1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180    1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  END