BR31MK
-OEChem-04012112502D
52 56 0 0 0 0 0 0 0999 V2000
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4.6501 2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5325 -1.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 1.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 3.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 1.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 3.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 3.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 5.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 -0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 4.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5601 4.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 5.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 5.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5681 5.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3926 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3811 -2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 -3.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2297 -4.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0899 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0783 -5.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 1.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5368 2.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 0.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 3.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0934 3.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 1.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 0.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9045 6.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6587 6.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 5.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1062 5.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0019 -1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6114 -0.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7718 -2.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1623 -3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7818 -2.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6892 -4.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6992 -4.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3087 -3.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4584 -5.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0712 -6.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6983 -5.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$