B8VR9D
-OEChem-04022107122D
42 45 0 0 0 0 0 0 0999 V2000
2.0000 5.2966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.2236 -4.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4424 -2.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5167 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6399 -3.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6643 -2.4736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0133 1.8403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5408 -3.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2479 -4.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8337 -4.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5408 -5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4418 -3.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4173 -2.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0408 -1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0408 -1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5755 -0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0200 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0616 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5167 0.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5100 2.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5100 2.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0067 3.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0067 3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5033 4.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 4.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6863 -5.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6863 -4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3953 -4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3953 -5.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1024 -5.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9792 -5.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1551 -3.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2688 -2.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8862 -0.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1954 -0.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3737 0.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6333 1.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2021 2.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6267 3.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3867 3.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8112 4.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 12 2 0 0 0 0
3 13 2 0 0 0 0
4 20 2 0 0 0 0
5 8 1 0 0 0 0
5 13 1 0 0 0 0
5 33 1 0 0 0 0
6 12 1 0 0 0 0
6 15 1 0 0 0 0
6 34 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
7 38 1 0 0 0 0
8 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 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
16 18 2 0 0 0 0
16 35 1 0 0 0 0
17 19 2 0 0 0 0
17 36 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
19 37 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
22 39 1 0 0 0 0
23 25 2 0 0 0 0
23 40 1 0 0 0 0
24 26 2 0 0 0 0
24 41 1 0 0 0 0
25 26 1 0 0 0 0
25 42 1 0 0 0 0
M END
$$$$