B13XAQ
-OEChem-04022108562D
27 28 0 0 0 0 0 0 0999 V2000
6.3301 -3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 N 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
3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 13 2 0 0 0 0
3 14 2 0 0 0 0
4 19 1 0 0 0 0
4 27 1 0 0 0 0
5 19 2 0 0 0 0
6 13 1 0 0 0 0
6 18 1 0 0 0 0
6 25 1 0 0 0 0
7 14 1 0 0 0 0
7 18 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 10 2 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
10 20 1 0 0 0 0
11 16 1 0 0 0 0
11 21 1 0 0 0 0
12 17 2 0 0 0 0
12 22 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
15 19 1 0 0 0 0
16 23 1 0 0 0 0
17 24 1 0 0 0 0
M END
$$$$