D0U3XL 05310800062D 1 1.00000 0.00000 0 29 32 0 0 0 999 V2000 -0.9598 -2.1541 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9609 -2.8523 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3544 -3.2027 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3562 -1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0.2425 -2.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0.2435 -2.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0.8502 -3.1974 0.0000 N 0 0 0 0 0 0 0 0 0 1.4521 -2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 1.4476 -2.1438 0.0000 N 0 0 0 0 0 0 0 0 0 0.8446 -1.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0.8404 -1.1067 0.0000 N 0 0 0 0 0 0 0 0 0 1.4393 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 2.0430 -1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 2.6414 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 2.6377 -0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 2.0303 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 1.4303 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0.8254 0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0.0535 -0.0459 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5607 -1.8082 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5606 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1615 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1614 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5605 0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9596 -0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0.0458 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 3.2484 -1.0957 0.0000 Br 0 0 0 0 0 0 0 0 0 -1.5621 -3.2020 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1766 -2.8498 0.0000 C 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 6 7 1 0 0 0 14 15 2 0 0 0 1 2 2 0 0 0 15 16 1 0 0 0 7 8 2 0 0 0 16 17 2 0 0 0 17 12 1 0 0 0 5 4 2 0 0 0 17 18 1 0 0 0 8 9 1 0 0 0 18 19 1 0 0 0 4 1 1 0 0 0 1 20 1 0 0 0 9 10 2 0 0 0 20 21 1 0 0 0 10 5 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 10 11 1 0 0 0 23 24 1 0 0 0 2 3 1 0 0 0 24 25 1 0 0 0 25 19 1 0 0 0 11 12 1 0 0 0 19 26 1 0 0 0 5 6 1 0 0 0 14 27 1 0 0 0 12 13 2 0 0 0 2 28 1 0 0 0 3 6 2 0 0 0 28 29 1 0 0 0 M END $$$$