BE4WL1
-OEChem-04012118272D
29 31 0 1 0 0 0 0 0999 V2000
3.2024 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 -0.7913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7711 -0.7913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2413 -0.2913 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.2413 -1.2913 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.2902 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2902 -1.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1875 0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1875 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2024 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2421 0.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2421 -1.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5424 0.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7533 0.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7533 -1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5424 -2.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 0.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9365 0.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9365 -2.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 -1.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3911 -0.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2156 1.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9308 2.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 1.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 12 1 0 0 0 0
2 15 1 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 9 1 0 0 0 0
4 10 1 0 0 0 0
4 26 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
5 16 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 17 1 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
13 27 1 0 0 0 0
14 15 2 0 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
M END
$$$$