L1HFJ4
-OEChem-05022323262D
47 49 0 1 0 0 0 0 0999 V2000
5.6519 2.1961 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
4.3667 3.3573 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
3.0815 4.5185 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.6552 -0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0049 0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9592 1.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7003 1.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6034 2.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3889 3.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5763 4.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1571 2.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 5.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1300 4.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0331 4.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9309 -2.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9309 -4.0947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1187 -2.2900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3445 3.1477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2526 -3.7900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1187 -5.2900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1949 -0.2274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2444 0.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2416 -1.5348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1932 -1.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9847 -2.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5145 -3.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9847 -3.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1187 -4.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2526 -2.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7468 -0.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6322 0.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6290 -1.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3210 -1.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8099 -1.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5511 1.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9597 1.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5709 0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1345 -3.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7602 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7157 -2.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5703 1.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5817 -5.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6556 -5.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1663 4.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1680 5.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 29 2 0 0 0 0
30 41 1 0 0 0 0
M END
$$$$