BW5EB0
-OEChem-04012117292D
27 28 0 0 0 0 0 0 0999 V2000
2.0000 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
3 12 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
5 7 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
6 8 1 0 0 0 0
6 17 1 0 0 0 0
6 18 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 10 2 0 0 0 0
10 12 1 0 0 0 0
10 23 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
12 13 1 0 0 0 0
13 24 1 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
M END
$$$$