BQB1R3 -OEChem-04022101443D 32 35 0 0 0 0 0 0 0999 V2000 3.3643 1.6759 -0.6444 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 -2.8633 -0.6421 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7118 -0.3830 -0.0796 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2515 -0.2340 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 0.3751 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 1.0425 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 -1.1999 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 1.3967 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0567 -0.9506 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8827 0.6894 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8441 2.0396 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 -2.5437 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 1.8613 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8166 3.3152 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 -3.6849 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9579 1.4871 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 3.9980 0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 -4.8300 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 0.1119 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 3.2215 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -4.5247 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8318 2.4400 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -1.7732 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 2.8675 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 3.7491 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 -3.7110 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8196 2.1382 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2533 5.0068 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 -5.8267 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7665 -0.6251 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 3.4877 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 -5.1977 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$