D0H2XJ -OEChem-10191521382D 21 21 0 1 0 0 0 0 0999 V2000 3.2601 -1.1739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.3649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5691 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 0.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 1.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7906 1.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -1.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 -1.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 1.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 1.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 0.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2776 0.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4072 1.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 M END $$$$