B78OFD
-OEChem-04012116482D
32 34 0 0 0 0 0 0 0999 V2000
6.3301 -2.7694 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.0902 1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5700 1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5211 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4366 2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7653 3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8949 3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2237 2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 10 2 0 0 0 0
3 11 2 0 0 0 0
4 10 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 27 1 0 0 0 0
6 13 2 0 0 0 0
6 16 1 0 0 0 0
7 14 1 0 0 0 0
7 16 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 11 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
14 26 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
17 19 1 0 0 0 0
17 28 1 0 0 0 0
18 20 2 0 0 0 0
18 29 1 0 0 0 0
19 21 2 0 0 0 0
19 30 1 0 0 0 0
20 21 1 0 0 0 0
20 31 1 0 0 0 0
21 32 1 0 0 0 0
M END
$$$$