B1VE9P
-OEChem-04012113332D
39 40 0 1 0 0 0 0 0999 V2000
5.3621 -0.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6213 -1.3029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3284 -0.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3284 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6213 -1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5640 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9142 -2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 -2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3469 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3697 2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6980 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4659 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4422 -0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1137 -0.9211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9323 0.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6019 0.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7818 -0.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0844 -0.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4758 -1.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4758 -2.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3526 -2.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4758 -2.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3526 -2.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7326 1.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8323 2.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9611 2.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9779 2.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2493 2.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7615 1.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8057 -0.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6082 -1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 1.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3080 -1.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0475 -0.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5764 0.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
2 16 2 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 8 1 6 0 0 0
4 5 1 0 0 0 0
4 18 1 1 0 0 0
5 7 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 9 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 13 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 28 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
11 33 1 0 0 0 0
12 14 2 0 0 0 0
12 34 1 0 0 0 0
13 15 2 0 0 0 0
13 35 1 0 0 0 0
14 16 1 0 0 0 0
14 36 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
M END
$$$$