BRS4V0 -OEChem-04022104223D 42 44 0 0 0 0 0 0 0999 V2000 -8.8334 -1.1849 0.4720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -1.9120 -0.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 -1.6793 0.1306 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -1.5972 -0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 1.4687 -1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 -0.0925 0.4919 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 0.2442 0.4911 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7034 0.4417 0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 2.7880 0.0064 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 -0.3580 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 -0.6400 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4535 -2.3366 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 0.1750 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -1.3443 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 0.9063 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -1.3556 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9545 0.9715 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 1.1727 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -1.0891 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 -0.4274 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1146 0.1450 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3999 1.7519 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2048 -0.6916 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3076 1.5196 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4878 -0.1538 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5907 2.0572 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 1.2206 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 -2.6531 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 -3.2131 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.6364 1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 0.5394 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6138 1.7011 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 -2.3527 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 2.1626 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -1.9123 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 1.3757 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0607 -1.7635 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4962 2.2049 -0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7427 3.1262 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6753 1.6535 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5111 2.9945 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 3.3885 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 14 2 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 36 1 0 0 0 0 9 22 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$