D0I7OD
-OEChem-10101305022D
41 42 0 0 0 0 0 0 0999 V2000
5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6182 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2382 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7522 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3722 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 15 1 0 0 0 0
2 24 1 0 0 0 0
3 16 1 0 0 0 0
3 33 1 0 0 0 0
4 20 1 0 0 0 0
4 37 1 0 0 0 0
5 22 1 0 0 0 0
5 25 1 0 0 0 0
6 23 1 0 0 0 0
6 38 1 0 0 0 0
7 22 2 0 0 0 0
8 23 2 0 0 0 0
9 11 1 0 0 0 0
9 14 2 0 0 0 0
10 13 2 0 0 0 0
10 15 1 0 0 0 0
11 16 2 0 0 0 0
11 23 1 0 0 0 0
12 14 1 0 0 0 0
12 17 2 0 0 0 0
12 21 1 0 0 0 0
13 18 1 0 0 0 0
13 22 1 0 0 0 0
14 26 1 0 0 0 0
15 19 2 0 0 0 0
16 17 1 0 0 0 0
17 27 1 0 0 0 0
18 20 2 0 0 0 0
18 28 1 0 0 0 0
19 20 1 0 0 0 0
19 29 1 0 0 0 0
21 30 1 0 0 0 0
21 31 1 0 0 0 0
21 32 1 0 0 0 0
24 34 1 0 0 0 0
24 35 1 0 0 0 0
24 36 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
M END
$$$$