B8XAE2
-OEChem-04012112202D
27 28 0 0 0 0 0 0 0999 V2000
3.7891 0.2063 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6804 1.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 0.2063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2791 2.8799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6859 1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7336 1.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6436 3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6625 2.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 14 1 0 0 0 0
2 16 2 0 0 0 0
3 7 1 0 0 0 0
3 15 1 0 0 0 0
3 19 1 0 0 0 0
4 8 2 0 0 0 0
4 13 1 0 0 0 0
5 16 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 2 0 0 0 0
7 10 2 0 0 0 0
9 11 1 0 0 0 0
9 17 1 0 0 0 0
10 12 1 0 0 0 0
10 18 1 0 0 0 0
11 12 2 0 0 0 0
11 20 1 0 0 0 0
12 21 1 0 0 0 0
13 14 2 0 0 0 0
13 16 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
M END
$$$$