B2X8SB
-OEChem-04022108312D
39 41 0 0 0 0 0 0 0999 V2000
2.0000 -2.7654 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.4308 -3.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 3.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 3.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 0.0952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0772 -2.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 -0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0567 -2.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0627 -0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6868 -2.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 -0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7435 -2.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 -2.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7224 -2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2186 0.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4565 0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5267 -2.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2830 -2.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9473 -1.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7783 -0.5385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4823 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0838 1.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 -2.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 0.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3951 1.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7937 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7384 -0.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8490 -3.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3294 -2.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5958 -1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 3.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 18 2 0 0 0 0
3 22 1 0 0 0 0
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4 22 2 0 0 0 0
5 7 1 0 0 0 0
5 13 1 0 0 0 0
5 14 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 18 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 11 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 13 2 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 19 2 0 0 0 0
15 31 1 0 0 0 0
16 20 2 0 0 0 0
16 32 1 0 0 0 0
17 22 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 21 1 0 0 0 0
19 20 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
M END
$$$$