BI85SU
-OEChem-04022109132D
45 46 0 1 0 0 0 0 0999 V2000
2.0000 -1.0950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -4.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -5.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 4.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 4.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 4.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 5.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 19 1 0 0 0 0
2 25 1 0 0 0 0
3 16 1 0 0 0 0
3 45 1 0 0 0 0
4 16 2 0 0 0 0
5 25 2 0 0 0 0
6 20 1 0 0 0 0
6 25 1 0 0 0 0
6 41 1 0 0 0 0
7 8 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
7 26 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 13 1 0 0 0 0
10 27 1 0 0 0 0
11 14 2 0 0 0 0
11 28 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
17 19 1 0 0 0 0
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18 21 2 0 0 0 0
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19 23 2 0 0 0 0
20 22 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
21 23 1 0 0 0 0
21 39 1 0 0 0 0
22 24 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
23 40 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
M END
$$$$