D05HOH
-OEChem-10101305022D
81 84 0 1 0 0 0 0 0999 V2000
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6.3301 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5542 3.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5542 5.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3722 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7522 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5470 2.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5470 6.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9960 3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9960 5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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43 80 1 0 0 0 0
M END
$$$$