Files
rdkit/Code/GraphMol/FileParsers/test_data/github192.mol
Greg Landrum d30bf4a6df the fix for #188 also
fixes #192
2016-03-29 13:19:10 +02:00

65 lines
2.8 KiB
Plaintext

CHEBI:62449
Marvin 06281108082D
30 29 0 0 0 0 999 V2000
4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3585 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7875 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2164 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3585 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7875 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2164 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5019 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
1 4 1 0 0 0 0
2 5 2 0 0 0 0
3 6 1 0 0 0 0
5 7 1 0 0 0 0
6 8 2 0 0 0 0
7 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
24 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
M END