B29UWZ
-OEChem-04012118462D
22 23 0 1 0 0 0 0 0999 V2000
4.2120 -1.8378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.0780 1.8378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5939 -1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4600 1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 -2.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 -2.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7690 2.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7690 2.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0043 -1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8703 1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5385 -3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2674 -3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4046 3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1334 3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 12 1 0 0 0 0
2 8 1 0 0 0 0
2 14 1 0 0 0 0
3 5 1 0 0 0 0
3 21 1 0 0 0 0
4 7 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 15 1 0 0 0 0
6 9 2 0 0 0 0
7 8 1 0 0 0 0
8 10 2 0 0 0 0
9 11 1 0 0 0 0
9 16 1 0 0 0 0
10 13 1 0 0 0 0
10 17 1 0 0 0 0
11 12 2 0 0 0 0
11 18 1 0 0 0 0
12 19 1 0 0 0 0
13 14 2 0 0 0 0
13 20 1 0 0 0 0
14 22 1 0 0 0 0
M END
$$$$