B45HNP
-OEChem-04012114572D
33 34 0 0 0 0 0 0 0999 V2000
6.3301 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7101 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9501 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 21 1 0 0 0 0
2 20 1 0 0 0 0
2 33 1 0 0 0 0
3 7 1 0 0 0 0
4 7 2 0 0 0 0
5 20 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 22 1 0 0 0 0
7 10 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
9 15 2 0 0 0 0
10 14 1 0 0 0 0
11 13 2 0 0 0 0
11 23 1 0 0 0 0
12 17 2 0 0 0 0
12 20 1 0 0 0 0
13 16 1 0 0 0 0
14 16 2 0 0 0 0
14 24 1 0 0 0 0
15 18 1 0 0 0 0
15 25 1 0 0 0 0
16 26 1 0 0 0 0
17 19 1 0 0 0 0
17 27 1 0 0 0 0
18 19 2 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
21 30 1 0 0 0 0
21 31 1 0 0 0 0
21 32 1 0 0 0 0
M CHG 2 3 -1 7 1
M END
$$$$