B96JQA -OEChem-04022108393D 40 42 0 1 0 0 0 0 0999 V2000 7.5748 -1.9585 -0.0097 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.4128 0.0205 0.1333 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 2.1571 -1.8077 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4732 -0.8252 -0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 0.8695 0.1978 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2911 0.5342 0.4573 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 1.2862 0.8477 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2689 0.7448 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 2.2659 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 1.7615 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 0.1975 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4244 0.2090 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 0.4240 -0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 -0.6563 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 -0.2346 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 0.2482 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5241 -0.2215 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 -1.3016 1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 -1.4739 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9005 -1.0842 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7923 -0.5275 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 1.5908 0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2931 -2.2496 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5895 -1.7764 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 1.7936 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 1.3672 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 -0.2906 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 3.2730 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.3006 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4924 1.4393 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 1.0781 -1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1791 -0.8496 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 -0.0419 -1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 -1.9688 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 -1.9151 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4401 2.3699 0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9446 1.8897 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4534 1.6078 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1368 -3.2224 -1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 -2.3935 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 10 2 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 21 24 2 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$