BY3M0U
-OEChem-04022105422D
29 31 0 1 0 0 0 0 0999 V2000
2.9705 2.1546 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.2024 -2.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -0.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 -1.2886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7711 -1.2886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2413 -0.7886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.2413 -1.7886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.2902 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2902 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1875 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1875 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2024 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2421 -0.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2421 -2.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5424 0.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7533 -0.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7533 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5424 -2.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 -0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9365 0.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9365 -2.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 -2.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3911 -1.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2156 0.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 0.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
2 12 2 0 0 0 0
3 13 1 0 0 0 0
3 16 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 27 1 0 0 0 0
6 7 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 9 1 0 0 0 0
7 11 1 0 0 0 0
7 18 1 0 0 0 0
8 19 1 0 0 0 0
8 20 1 0 0 0 0
9 21 1 0 0 0 0
9 22 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 14 2 0 0 0 0
14 15 1 0 0 0 0
14 28 1 0 0 0 0
15 16 2 0 0 0 0
16 29 1 0 0 0 0
M END
$$$$