BSM4B0
-OEChem-04012113062D
43 47 0 0 0 0 0 0 0999 V2000
2.9180 1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5325 -2.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -2.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 3.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 -1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 2.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5601 2.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 4.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 4.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 -0.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5681 3.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3926 -2.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3811 -3.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 -4.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 0.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5368 1.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 -1.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 2.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0934 2.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 0.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9045 4.9319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6587 4.9318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 -1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 4.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1062 4.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0019 -2.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6114 -2.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8406 -4.1057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2341 -4.9318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7818 -4.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 10 1 0 0 0 0
2 5 1 0 0 0 0
2 11 1 0 0 0 0
3 16 1 0 0 0 0
3 25 1 0 0 0 0
4 14 2 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
6 7 2 0 0 0 0
6 13 1 0 0 0 0
7 14 1 0 0 0 0
7 16 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
9 15 2 0 0 0 0
9 28 1 0 0 0 0
10 17 2 0 0 0 0
11 18 2 0 0 0 0
12 20 1 0 0 0 0
12 21 1 0 0 0 0
13 19 2 0 0 0 0
13 29 1 0 0 0 0
14 15 1 0 0 0 0
15 30 1 0 0 0 0
16 22 2 0 0 0 0
17 23 1 0 0 0 0
17 31 1 0 0 0 0
18 24 1 0 0 0 0
18 32 1 0 0 0 0
19 22 1 0 0 0 0
19 33 1 0 0 0 0
20 23 2 0 0 0 0
20 34 1 0 0 0 0
21 24 2 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
25 26 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
26 27 2 0 0 0 0
26 41 1 0 0 0 0
27 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$