BFU91R
-OEChem-04012113302D
45 47 0 0 0 0 0 0 0999 V2000
5.3147 2.7688 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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6.3147 2.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3147 2.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.1756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 3.7688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -1.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8148 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7872 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 -2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 -2.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7653 -2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4270 -3.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0743 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4052 -4.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8927 2.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2727 1.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2779 -1.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1249 -1.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3517 -0.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3568 1.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7368 2.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5269 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8411 -2.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6597 -2.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 4.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 4.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5116 -2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1802 -1.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0122 -4.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -3.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5968 -4.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
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2 5 1 0 0 0 0
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8 15 1 0 0 0 0
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21 23 1 0 0 0 0
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24 25 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
M END
$$$$