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
|
C6H6BN3
RDKit 2D
10 11 0 0 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
-1.4000 -0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
0.8229 1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1544 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1544 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1948 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9037 -3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5722 -3.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5318 -2.5020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8229 -1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
3 4 2 0
4 5 1 0
6 7 2 0
7 8 1 0
8 9 2 0
5 6 1 0
10 1 2 0
10 9 1 0
5 10 1 0
M END
|