B9U1WD
-OEChem-04012120272D
41 42 0 1 0 0 0 0 0999 V2000
5.4641 0.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 0.1334 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.8622 0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 2.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9446 -0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8047 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6649 -1.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4900 -0.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0712 0.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4730 0.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4730 1.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0712 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3497 2.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5515 2.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3353 -0.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7258 -1.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.9780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 1.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 1.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1982 -2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 16 1 0 0 0 0
2 16 2 0 0 0 0
3 16 1 0 0 0 0
3 17 1 0 0 0 0
3 19 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
4 21 1 0 0 0 0
5 6 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 9 2 0 0 0 0
7 11 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 12 1 0 0 0 0
10 15 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 13 2 0 0 0 0
11 30 1 0 0 0 0
12 14 2 0 0 0 0
12 31 1 0 0 0 0
13 14 1 0 0 0 0
14 32 1 0 0 0 0
15 18 3 0 0 0 0
17 20 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
M END
$$$$