LK4DQ6 -OEChem-05032301403D 42 46 0 1 0 0 0 0 0999 V2000 -5.1748 3.6158 0.4211 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1222 1.4252 1.5232 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 -0.5698 1.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -1.2203 -0.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -0.7501 -0.1068 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -2.9537 -0.2712 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6519 -1.5088 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2654 -3.4669 -0.2553 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 0.9586 -0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8423 2.4022 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 1.5385 -1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.4050 0.6652 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5071 -0.1025 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2401 2.9290 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 -0.3311 1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -0.5481 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -1.6281 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 -1.1721 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 0.0926 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.1391 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 -0.1479 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9556 -3.7802 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 1.4238 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4157 0.8790 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 2.4600 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9402 2.1893 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 2.5967 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 2.7692 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 1.4573 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 1.1912 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7336 0.3328 -1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 -0.8435 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 3.1875 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 3.7593 -1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.1936 1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 0.3428 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -1.1909 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 -1.9737 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -4.8364 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 1.6563 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4779 0.6545 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 3.4816 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 12 1 0 0 0 0 3 16 1 0 0 0 0 3 37 1 0 0 0 0 4 16 2 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 22 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 38 1 0 0 0 0 8 20 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$