1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
|
CHEBI:28227
Marvin 11190719022D
11 10 0 0 1 0 999 V2000
2.1434 -0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.1768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1434 -0.1768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.2357 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0
0.7144 -1.0017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4290 1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 9 2 0 0 0 0
3 4 1 0 0 0 0
5 2 1 0 0 0 0
4 5 1 0 0 0 0
5 8 1 1 0 0 0
7 6 2 0 0 0 0
7 3 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 6 0 0 0
M END
|