RDKit 3D 42 44 0 0 0 0 0 0 0 0999 V2000 5.5589 0.7097 1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 0.9850 0.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 0.3410 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6402 -0.5572 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 -0.8264 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5796 -0.1986 1.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6942 -1.7812 0.0643 N 0 0 0 0 0 4 0 0 0 0 0 0 8.5075 -2.0300 0.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7186 -2.2874 -1.0660 O 0 0 0 0 0 1 0 0 0 0 0 0 3.5794 0.6177 -1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8891 0.5104 -2.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 0.8093 -0.8609 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 1.6208 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 2.7103 -2.6484 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0757 1.5230 -0.8138 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 0.3868 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 0.6924 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 1.6679 1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7354 1.4213 1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 0.3054 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -0.1371 -0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1743 -0.4557 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0899 -1.6326 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2369 -2.3606 -0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4845 -1.9151 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5946 -0.7503 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4441 -0.0261 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0366 -2.8952 -0.9798 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 1.2134 2.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8221 1.7323 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6691 -1.0330 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 -0.3978 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 0.6055 0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6246 2.0565 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -0.4903 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 0.1912 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7941 2.4631 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 1.9922 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 -1.9980 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1416 -3.2686 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5664 -0.3956 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5578 0.8814 1.1449 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 2 0 7 9 1 0 3 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 25 28 1 0 6 1 1 0 21 17 1 0 27 22 1 0 1 29 1 0 2 30 1 0 4 31 1 0 6 32 1 0 12 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 19 38 1 0 23 39 1 0 24 40 1 0 26 41 1 0 27 42 1 0 M CHG 2 7 1 9 -1 M END