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 27 28 29
|
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
1.2367 -0.6442 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1757 0.7492 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0609 1.3935 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2366 0.6442 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 -0.7492 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0609 -1.3935 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2001 -1.1461 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0917 1.3330 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1084 2.4791 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 1.1461 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0917 -1.3330 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1084 -2.4791 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
2 8 1 0
3 9 1 0
4 10 1 0
5 11 1 0
6 12 1 0
M END
|