B0EJI8
-OEChem-04022101282D
45 45 0 1 0 0 0 0 0999 V2000
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4.5981 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.3301 3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2573 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3503 1.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9703 2.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4142 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1742 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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20 22 2 0 0 0 0
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22 44 1 0 0 0 0
23 45 1 0 0 0 0
M END
$$$$