BUB93M
-OEChem-04012118422D
40 42 0 0 0 0 0 0 0999 V2000
4.6660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4401 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8201 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9121 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1521 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3762 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6162 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 12 1 0 0 0 0
2 10 1 0 0 0 0
2 22 1 0 0 0 0
3 11 1 0 0 0 0
3 23 1 0 0 0 0
4 13 1 0 0 0 0
4 31 1 0 0 0 0
5 17 1 0 0 0 0
5 24 1 0 0 0 0
6 14 2 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 13 2 0 0 0 0
9 12 1 0 0 0 0
9 14 1 0 0 0 0
9 18 2 0 0 0 0
10 15 1 0 0 0 0
11 16 2 0 0 0 0
12 19 2 0 0 0 0
13 14 1 0 0 0 0
15 17 2 0 0 0 0
15 25 1 0 0 0 0
16 17 1 0 0 0 0
16 26 1 0 0 0 0
18 20 1 0 0 0 0
18 27 1 0 0 0 0
19 21 1 0 0 0 0
19 28 1 0 0 0 0
20 21 2 0 0 0 0
20 29 1 0 0 0 0
21 30 1 0 0 0 0
22 32 1 0 0 0 0
22 33 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
M END
$$$$