B0T1AI -OEChem-04012113312D 20 21 0 0 0 0 0 0 0999 V2000 3.3660 -2.7888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.7888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 M END $$$$