RDKit 3D 39 40 0 0 0 0 0 0 0 0999 V2000 4.9087 1.4564 2.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0518 0.4231 2.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 0.0273 3.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9047 -0.3912 1.5422 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2648 -1.7396 1.8296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 -0.3569 0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 -1.0935 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 -1.0434 -1.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0800 -1.7437 -2.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0119 -1.7624 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 -1.1974 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 0.1799 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 0.8178 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 2.1403 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 2.7092 0.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 2.8366 -0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 4.6366 -1.4054 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 2.2066 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 0.8787 -0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 0.3459 -1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 2.0403 3.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 1.7534 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4455 0.6238 4.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 0.1713 3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3748 -1.0230 4.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6072 -0.0304 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 -1.7023 2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7911 -0.8375 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 0.6848 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 -0.6269 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 -2.1379 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 -2.7994 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 -1.2520 -3.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 -1.6863 -2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -2.7934 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -1.7343 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3349 0.2949 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 3.6245 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 2.7341 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 14 16 2 0 16 17 1 0 10 8 1 0 12 13 2 0 8 7 1 1 16 18 1 0 8 20 1 0 18 19 2 0 7 6 1 0 19 12 1 0 6 4 1 0 12 11 1 0 4 2 1 0 13 14 1 0 4 5 1 0 11 10 2 0 8 9 1 0 19 20 1 0 2 1 2 3 2 3 1 0 13 37 1 0 18 39 1 0 11 36 1 0 10 35 1 0 15 38 1 0 7 30 1 0 7 31 1 0 6 28 1 0 6 29 1 0 4 26 1 6 5 27 1 0 9 32 1 0 9 33 1 0 9 34 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 M END