LFQA35 -OEChem-05022322423D 30 33 0 0 0 0 0 0 0999 V2000 -4.9276 -3.3609 0.4280 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -1.7227 -2.0354 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 1.9738 -0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0782 3.7049 -0.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 -0.4246 0.1574 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 1.7753 -0.0937 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8366 0.2411 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 -0.2879 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 1.5931 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 0.8223 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 0.3746 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 2.4903 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7225 -1.5578 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7949 -0.1925 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3689 0.7464 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1203 -1.6596 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9258 -0.5277 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -1.1434 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 0.2541 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -1.6477 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 -0.2502 1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3846 -1.2011 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 -2.4371 0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 2.3066 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9888 1.6273 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -0.6212 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 0.9906 1.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9348 -2.3892 -1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5629 0.0966 2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 -1.5939 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 M END $$$$