B43JUI
-OEChem-04012116552D
56 60 0 1 0 0 0 0 0999 V2000
4.5827 -0.9433 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4487 -1.4434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7166 -3.4434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -6.4434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4487 -2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2088 2.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9487 4.0955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 2.5566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 4.0955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 0.0566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -2.3501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5365 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5365 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2275 5.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8455 5.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0365 6.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2577 3.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -2.4434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4487 -1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6397 3.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -0.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9241 5.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4717 4.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1429 4.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9175 6.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6611 5.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4119 5.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1555 6.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4514 6.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6216 6.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 -2.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6092 -1.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0500 2.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 1.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 -0.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8517 1.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7587 -2.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8517 -3.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 -5.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8517 -5.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 -0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
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32 34 2 0 0 0 0
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33 54 1 0 0 0 0
34 36 1 0 0 0 0
34 55 1 0 0 0 0
35 56 1 0 0 0 0
M END
$$$$