B97WYA -OEChem-04012116232D 47 49 0 1 0 0 0 0 0999 V2000 9.0058 2.1385 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 -1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.3514 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5942 -0.3715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -0.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 1.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 0.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 1.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 -1.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 -1.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 1.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 -1.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 -1.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5982 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 0.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 -2.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 -1.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9964 -0.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 7 1 0 0 0 0 5 47 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 24 2 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$