D01NEC
-OEChem-10191523082D
44 46 0 1 0 0 0 0 0999 V2000
5.7634 3.9045 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0955 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9435 -4.4434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 -5.4434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4846 2.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8096 0.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5416 0.0566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2736 -0.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 4.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 5.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5416 -0.9434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6756 -1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4076 -1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8096 -2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5416 -2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8666 2.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 3.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1756 3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8096 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5416 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 3.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 5.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 4.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0785 -0.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4635 -0.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0650 -1.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0091 -1.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8062 -1.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0785 0.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2726 -2.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0785 -2.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2769 1.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8106 -1.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2736 -0.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0785 -4.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0395 4.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4375 5.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6563 5.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 5.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 25 1 0 0 0 0
3 23 1 0 0 0 0
4 26 1 0 0 0 0
5 16 1 0 0 0 0
5 22 1 0 0 0 0
6 15 2 0 0 0 0
11 7 1 6 0 0 0
7 15 1 0 0 0 0
7 34 1 0 0 0 0
8 13 1 0 0 0 0
8 38 1 0 0 0 0
8 39 1 0 0 0 0
9 10 1 0 0 0 0
9 21 1 0 0 0 0
9 27 1 0 0 0 0
10 28 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
12 14 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 2 0 0 0 0
17 23 1 0 0 0 0
17 35 1 0 0 0 0
18 24 2 0 0 0 0
18 36 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
19 22 2 0 0 0 0
20 37 1 0 0 0 0
21 25 2 0 0 0 0
23 26 2 0 0 0 0
24 26 1 0 0 0 0
24 40 1 0 0 0 0
25 28 1 0 0 0 0
27 41 1 0 0 0 0
27 42 1 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
M END
$$$$