B5WS4B
-OEChem-04012116242D
51 54 0 1 0 0 0 0 0999 V2000
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7.1962 2.3988 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.1667 4.8933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1962 2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9757 3.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.1012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1448 5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 4.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -1.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -2.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 -5.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 -4.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -5.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -5.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -4.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 3.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3970 5.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2615 4.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 10 1 0 0 0 0
2 24 1 0 0 0 0
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31 32 2 0 0 0 0
31 50 1 0 0 0 0
32 51 1 0 0 0 0
M END
$$$$