mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-07 22:44:25 +08:00
44 lines
1.8 KiB
Plaintext
44 lines
1.8 KiB
Plaintext
|
|
-ISIS- 06160512192D
|
|
|
|
18 20 0 0 0 0 0 0 0 0999 V2000
|
|
0.0931 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.2000 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.4966 -2.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-1.2483 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.3069 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.2000 0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.8586 -2.6034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-0.4414 -3.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-2.1862 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.6034 -0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.0069 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-1.7621 -3.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-3.5276 -1.7414 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.0069 2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-1.1862 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-1.1862 3.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-2.3793 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
-2.3793 2.9207 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 1 0 0 0 0
|
|
2 6 2 0 0 0 0
|
|
3 7 1 0 0 0 0
|
|
3 8 1 0 0 0 0
|
|
4 9 2 0 0 0 0
|
|
5 10 2 0 0 0 0
|
|
6 11 1 0 0 0 0
|
|
8 12 2 0 0 0 0
|
|
9 13 1 0 0 0 0
|
|
11 14 2 0 0 0 0
|
|
11 15 1 0 0 0 0
|
|
14 16 1 0 0 0 0
|
|
15 17 2 0 0 0 0
|
|
16 18 2 0 0 0 0
|
|
5 7 1 0 0 0 0
|
|
9 12 1 0 0 0 0
|
|
17 18 1 0 0 0 0
|
|
M END
|