RDKit 3D 55 57 0 0 0 0 0 0 0 0999 V2000 -1.0399 -1.4004 1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 -0.0229 0.8423 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4259 0.1033 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 1.1613 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 1.3488 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6934 0.6755 -1.1373 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7936 1.3442 -2.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 0.7595 -1.6959 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2167 -0.1633 -3.3918 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 0.2360 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4175 0.3597 -1.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 -0.7672 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 -1.0241 -0.4856 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0133 -1.4633 -1.5442 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0775 -2.8585 -1.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -1.1147 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7816 -0.0061 -0.4381 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2302 0.0605 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 1.1068 -0.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2368 -0.8528 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6677 -0.5033 1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1569 0.8409 2.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6888 0.7169 2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 0.1523 3.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4318 1.0692 1.7122 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6144 2.2105 0.9062 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2265 -1.5490 2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 -1.5629 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 -2.1421 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 1.9349 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 0.7759 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 2.4247 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 0.7756 -3.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 1.2674 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 2.4020 -2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 1.8314 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1812 0.8253 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 -0.8140 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 -0.1733 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 -1.2368 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -1.2454 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 -1.8871 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3526 -1.0243 -2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 -3.1993 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 -2.0024 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -0.8174 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 0.9460 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 -1.9229 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1788 -0.8784 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 -1.2886 2.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7941 -0.4804 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6767 1.0013 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4452 1.6536 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 1.3723 2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5058 3.0452 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 6 6 5 1 0 5 4 1 0 4 3 2 0 3 13 1 0 13 12 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 2 1 0 2 1 1 1 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 12 6 1 0 2 17 1 0 2 3 1 0 7 33 1 0 7 34 1 0 7 35 1 0 5 31 1 0 5 32 1 0 4 30 1 0 13 42 1 1 12 40 1 0 12 41 1 0 14 43 1 6 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 6 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 25 54 1 1 26 55 1 0 1 27 1 0 1 28 1 0 1 29 1 0 8 36 1 6 10 37 1 0 10 38 1 0 11 39 1 0 M END