B4WH0S
-OEChem-04022106282D
31 33 0 1 0 0 0 0 0999 V2000
2.0000 -1.7403 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.0258 -0.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7431 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 1.1203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0627 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3764 0.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6962 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0567 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0772 -0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6868 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6818 1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 -0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0484 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9598 0.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8809 1.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 1.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -1.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4903 -1.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 -1.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 1.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2722 0.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8711 1.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0914 1.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7384 0.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4424 -0.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
2 18 1 0 0 0 0
2 31 1 0 0 0 0
3 18 2 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 22 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 12 1 0 0 0 0
6 11 1 0 0 0 0
7 9 2 0 0 0 0
7 14 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
8 13 1 0 0 0 0
9 15 1 0 0 0 0
10 16 1 1 0 0 0
10 18 1 0 0 0 0
10 20 1 0 0 0 0
11 21 1 0 0 0 0
12 13 2 0 0 0 0
12 23 1 0 0 0 0
13 24 1 0 0 0 0
14 17 2 0 0 0 0
14 25 1 0 0 0 0
15 19 2 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
16 28 1 0 0 0 0
16 29 1 0 0 0 0
17 19 1 0 0 0 0
19 30 1 0 0 0 0
M END
$$$$