B5RUP8
-OEChem-04022107202D
24 26 0 0 0 0 0 0 0999 V2000
2.0000 -0.7097 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 0.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2982 1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9875 0.3632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 0.0530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9875 -1.2463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 -1.3483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5711 -0.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0447 -1.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8418 -1.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7723 0.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 1.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9334 0.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9049 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 5 1 0 0 0 0
2 17 1 0 0 0 0
3 4 1 0 0 0 0
3 24 1 0 0 0 0
4 8 1 0 0 0 0
4 12 1 0 0 0 0
5 15 1 0 0 0 0
5 23 1 0 0 0 0
6 8 2 0 0 0 0
6 13 1 0 0 0 0
7 15 2 0 0 0 0
7 17 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
9 14 1 0 0 0 0
10 15 1 0 0 0 0
10 18 1 0 0 0 0
10 19 1 0 0 0 0
11 13 1 0 0 0 0
11 20 1 0 0 0 0
12 13 2 0 0 0 0
12 16 1 0 0 0 0
14 16 2 0 0 0 0
14 21 1 0 0 0 0
16 22 1 0 0 0 0
M END
$$$$