BWI6B3
-OEChem-04022107562D
45 47 0 0 0 0 0 0 0999 V2000
2.8680 -1.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3320 -1.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2038 0.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7339 -1.7531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7339 1.2469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8795 1.7878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6038 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4718 0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8679 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0679 -0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8679 -1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7398 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9740 0.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3359 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7339 0.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0679 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9740 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6000 -1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6000 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7436 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0077 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4660 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0116 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2035 -0.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0005 -0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8721 0.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0751 0.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9812 0.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2062 0.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5322 -1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9812 -2.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1369 0.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2817 1.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4696 -0.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1560 -2.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0029 -2.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7760 -1.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2709 1.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1970 1.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4758 1.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -1.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -2.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -2.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
1 25 1 0 0 0 0
2 14 2 0 0 0 0
3 10 1 0 0 0 0
3 14 1 0 0 0 0
3 31 1 0 0 0 0
4 11 2 0 0 0 0
4 18 1 0 0 0 0
5 15 1 0 0 0 0
5 40 1 0 0 0 0
5 41 1 0 0 0 0
6 21 2 0 0 0 0
6 24 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 14 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 15 2 0 0 0 0
10 13 2 0 0 0 0
10 16 1 0 0 0 0
11 17 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 30 1 0 0 0 0
15 19 1 0 0 0 0
16 17 2 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 34 1 0 0 0 0
20 22 1 0 0 0 0
21 35 1 0 0 0 0
22 24 2 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
M END
$$$$