B17NIS
-OEChem-04022104253D
52 56 0 1 0 0 0 0 0999 V2000
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4.4710 0.3506 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.2437 1.2675 -1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6094 1.9616 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2220 -1.2633 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.4166 -0.7648 1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9160 0.0764 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5303 0.2536 -1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4874 1.5250 -2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5219 3.0520 1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8740 1.6177 2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1147 0.4768 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2425 1.9846 3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7645 1.9330 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6872 -4.5466 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0547 -1.9009 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1169 -4.1487 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3723 -0.0425 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6105 3.2332 1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8563 0.0962 2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 0.7686 2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4853 1.8003 3.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4573 2.1457 -2.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 52 1 0 0 0 0
M END
$$$$