RDKit 3D 44 47 0 0 0 0 0 0 0 0999 V2000 0.4508 2.3680 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 1.5867 1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 0.3856 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -0.0274 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 0.7453 0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8674 1.9516 1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 0.3267 0.5742 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8952 -0.7677 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2707 -1.5921 -0.8194 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3521 -0.8343 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2207 -1.7377 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 -1.5473 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0489 -0.4623 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1479 0.4413 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8012 0.2187 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6322 0.9610 1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7788 1.9376 1.7945 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4923 -0.2808 0.4794 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.8562 0.6732 1.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2576 -1.0936 -0.0574 O 0 0 0 0 0 1 0 0 0 0 0 0 2.3638 -0.5090 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 -1.7129 0.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 0.1264 -0.2303 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 -0.4128 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9556 -1.7864 -0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1853 -2.2865 -1.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 -1.4136 -1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0777 -0.0454 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8449 0.4811 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 1.9825 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7439 2.6964 -0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5972 2.4211 -0.2783 O 0 0 0 0 0 1 0 0 0 0 0 0 8.9038 -2.0928 -2.1327 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 3.3088 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 1.9291 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -0.9791 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 2.6189 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8454 -2.5614 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2944 -2.2462 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4680 1.2823 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5801 1.1562 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1512 -2.4930 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3011 -3.3553 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 0.6391 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 13 18 1 0 18 19 2 0 18 20 1 0 3 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 30 32 1 0 27 33 1 0 6 1 1 0 16 7 1 0 15 10 1 0 29 24 1 0 1 34 1 0 2 35 1 0 4 36 1 0 6 37 1 0 11 38 1 0 12 39 1 0 14 40 1 0 23 41 1 0 25 42 1 0 26 43 1 0 28 44 1 0 M CHG 3 18 1 20 -1 32 -1 M END