B45AOL
-OEChem-04022107512D
28 29 0 0 0 0 0 0 0999 V2000
7.1962 -2.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 9 2 0 0 0 0
3 10 2 0 0 0 0
4 9 1 0 0 0 0
4 13 1 0 0 0 0
4 22 1 0 0 0 0
5 10 1 0 0 0 0
5 13 1 0 0 0 0
5 23 1 0 0 0 0
6 8 2 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
7 11 1 0 0 0 0
7 14 2 0 0 0 0
7 15 1 0 0 0 0
8 12 1 0 0 0 0
8 19 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
14 16 1 0 0 0 0
14 24 1 0 0 0 0
15 17 2 0 0 0 0
15 25 1 0 0 0 0
16 18 2 0 0 0 0
16 26 1 0 0 0 0
17 18 1 0 0 0 0
17 27 1 0 0 0 0
18 28 1 0 0 0 0
M END
$$$$