B4TO3X
-OEChem-04012118162D
34 36 0 1 0 0 0 0 0999 V2000
8.1424 -0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -1.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1868 -1.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1868 -0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 18 1 0 0 0 0
2 16 1 0 0 0 0
2 18 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 10 1 0 0 0 0
4 14 3 0 0 0 0
5 7 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 29 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 15 1 0 0 0 0
12 30 1 0 0 0 0
13 17 2 0 0 0 0
13 31 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 32 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
M END
$$$$