B8JV9Y
-OEChem-04022106492D
45 48 0 1 0 0 0 0 0999 V2000
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4.0057 4.1803 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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10.0258 -2.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7431 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 -1.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 0.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -1.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 -2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 -2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0627 -1.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 -1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0567 -3.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3764 -2.2322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.0772 -3.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6868 -3.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 -1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6818 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 -3.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0484 -2.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 1.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 1.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 2.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 2.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 3.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8809 -1.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9598 -1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -4.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4903 -3.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 -4.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 -1.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2722 -1.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8711 -0.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0914 -1.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7384 -2.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 -0.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 1.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4087 1.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4424 -3.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 2.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4087 2.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 29 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$