D00WZI
-OEChem-10101305022D
22 23 0 0 0 0 0 0 0999 V2000
5.5443 -0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7369 1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2479 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2479 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 10 1 0 0 0 0
2 13 1 0 0 0 0
2 21 1 0 0 0 0
3 13 1 0 0 0 0
3 22 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
4 8 1 0 0 0 0
5 9 1 0 0 0 0
6 7 2 0 0 0 0
6 14 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
8 10 2 0 0 0 0
8 15 1 0 0 0 0
9 11 2 0 0 0 0
9 16 1 0 0 0 0
10 13 1 0 0 0 0
11 17 1 0 0 0 0
12 18 1 0 0 0 0
12 19 1 0 0 0 0
12 20 1 0 0 0 0
M END
$$$$