BU8C3X -OEChem-04012113492D 28 29 0 1 0 0 0 0 0999 V2000 6.2781 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2286 0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 1.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 2.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.0933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 0.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 1.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 0.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 2.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 2.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$