BXW8A4
-OEChem-04012118262D
38 41 0 1 0 0 0 0 0999 V2000
5.9209 4.0165 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 2.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.3950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9422 -3.6529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -2.3456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4026 -3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9405 -2.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 -3.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 2.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 2.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4266 -1.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9411 -2.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9425 -3.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5572 -2.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0684 -2.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4553 -4.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2449 -4.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4445 -4.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 0.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7144 1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2177 3.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 2.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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22 23 1 0 0 0 0
22 37 1 0 0 0 0
M END
$$$$