BND4U5
-OEChem-04012113332D
40 41 0 1 0 0 0 0 0999 V2000
5.3621 0.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 -2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6213 -0.6479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3284 0.0592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3284 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6213 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5640 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9142 -1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 -1.3550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3469 2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3697 2.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6980 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4659 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4422 0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1137 -0.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9323 0.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6019 1.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7818 -0.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0844 -0.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4758 -0.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4758 -1.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3526 -1.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4870 -1.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7326 1.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8323 2.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9611 2.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9779 2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2493 3.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7615 2.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8057 0.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6082 -0.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 2.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3773 -2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3080 -0.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0475 -0.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5764 0.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
10 2 1 1 0 0 0
2 37 1 0 0 0 0
3 17 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 9 1 1 0 0 0
5 6 1 0 0 0 0
5 19 1 1 0 0 0
6 8 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 10 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 13 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 14 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 15 2 0 0 0 0
13 34 1 0 0 0 0
14 16 2 0 0 0 0
14 35 1 0 0 0 0
15 17 1 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
M END
$$$$