BVB93O
-OEChem-04012113213D
35 35 0 0 0 0 0 0 0999 V2000
-0.3146 -1.3075 -1.2512 S 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 0.4762 0.1712 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2886 1.5690 -0.8707 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2618 1.6208 1.2324 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5687 -0.7727 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9768 -2.1845 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0955 -0.8114 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4495 -2.2120 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6969 0.5828 0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8396 -0.7458 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1400 0.6119 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7336 -1.6976 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3371 1.0187 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9308 -1.2907 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2326 0.0675 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3540 2.0142 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5320 3.0608 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2132 -0.1577 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2409 -0.2848 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 -2.7741 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3243 -2.6868 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4317 -1.2842 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4855 -1.4377 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0975 -3.2485 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 -1.7763 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3725 1.2268 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4157 1.0594 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5227 -2.7618 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5802 2.0748 0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3563 0.0796 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6288 -2.0312 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1649 0.3843 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0735 2.6368 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2593 3.3969 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0695 3.9173 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 10 1 0 0 0 0
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3 11 1 0 0 0 0
3 16 1 0 0 0 0
4 16 2 0 0 0 0
5 6 1 0 0 0 0
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7 9 1 0 0 0 0
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7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
11 13 2 0 0 0 0
12 14 1 0 0 0 0
12 28 1 0 0 0 0
13 15 1 0 0 0 0
13 29 1 0 0 0 0
14 15 2 0 0 0 0
14 31 1 0 0 0 0
15 32 1 0 0 0 0
16 17 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
M END
$$$$