B3DI8L
-OEChem-04022107182D
33 34 0 1 0 0 0 0 0999 V2000
6.3582 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -2.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2032 1.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -3.5388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3011 2.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9921 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9921 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6831 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2522 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 -3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5986 3.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9273 4.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0569 4.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3857 3.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1167 2.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3731 2.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4140 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0155 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -1.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 -2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6245 -4.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 16 1 0 0 0 0
2 19 1 0 0 0 0
3 15 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 13 1 0 0 0 0
5 15 1 0 0 0 0
5 29 1 0 0 0 0
6 14 3 0 0 0 0
7 17 1 0 0 0 0
7 19 2 0 0 0 0
8 9 1 0 0 0 0
8 14 1 1 0 0 0
8 20 1 0 0 0 0
9 10 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 11 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 13 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
M END
$$$$