B3BGZ8
-OEChem-04022110432D
29 31 0 0 0 0 0 0 0999 V2000
4.6418 -2.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1328 0.2922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1408 -1.3173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4032 0.6023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4384 -1.4270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4387 1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1881 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4162 1.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1931 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7204 -0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0877 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7221 2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4144 -1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0652 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6996 2.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4294 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3711 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4151 1.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8245 1.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3404 -0.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8981 0.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3057 2.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0542 -1.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4816 0.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8892 3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0404 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9771 2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 18 2 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 11 1 0 0 0 0
4 10 1 0 0 0 0
4 11 2 0 0 0 0
5 8 1 0 0 0 0
5 17 2 0 0 0 0
6 14 1 0 0 0 0
6 18 1 0 0 0 0
6 25 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 10 2 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 14 1 0 0 0 0
11 22 1 0 0 0 0
12 15 1 0 0 0 0
12 23 1 0 0 0 0
13 16 2 0 0 0 0
13 24 1 0 0 0 0
15 19 2 0 0 0 0
15 26 1 0 0 0 0
16 19 1 0 0 0 0
16 27 1 0 0 0 0
17 18 1 0 0 0 0
17 28 1 0 0 0 0
19 29 1 0 0 0 0
M END
$$$$