B2QMC4 -OEChem-04022101443D 22 22 0 0 0 0 0 0 0999 V2000 2.1481 0.0282 -0.4100 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 -0.3517 0.2351 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 1.2633 -1.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6188 -1.2460 -0.9375 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0699 0.2891 1.1891 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 0.1933 1.2286 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4161 -0.0845 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 1.0716 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -1.3304 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -0.2641 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7476 0.9819 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -1.4203 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4381 0.8696 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 2.0521 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 -2.2434 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2931 1.9191 -0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 -2.3934 0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 0.9966 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 1.5257 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4944 0.6128 0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 1.3702 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 0.2663 2.1278 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 6 1 0 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$