BDE9W0
-OEChem-04022105362D
40 42 0 0 0 0 0 0 0999 V2000
2.0000 -0.9954 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.1569 2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 1.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 -0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5485 2.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6249 -0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2427 2.5141 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
12.7075 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1569 2.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4996 1.8450 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.6569 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4659 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8543 1.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1112 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4170 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5229 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8054 1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7908 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5229 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1454 2.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3657 2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8201 0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5997 0.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 -0.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0598 -0.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5143 0.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2939 1.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0598 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -3.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 0.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 9 1 0 0 0 0
2 14 1 0 0 0 0
3 17 1 0 0 0 0
3 18 1 0 0 0 0
4 16 1 0 0 0 0
4 27 1 0 0 0 0
5 10 1 0 0 0 0
5 21 1 0 0 0 0
6 18 2 0 0 0 0
7 10 1 0 0 0 0
8 10 2 0 0 0 0
9 12 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
12 16 1 0 0 0 0
13 19 2 0 0 0 0
13 20 1 0 0 0 0
14 18 1 0 0 0 0
15 17 1 0 0 0 0
15 21 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
16 22 2 0 0 0 0
17 30 1 0 0 0 0
17 31 1 0 0 0 0
19 23 1 0 0 0 0
19 32 1 0 0 0 0
20 24 2 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
21 35 1 0 0 0 0
22 26 1 0 0 0 0
22 36 1 0 0 0 0
23 25 2 0 0 0 0
23 37 1 0 0 0 0
24 25 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
26 27 2 0 0 0 0
26 40 1 0 0 0 0
M CHG 2 7 -1 10 1
M END
$$$$