RDKit 3D 49 53 0 0 0 0 0 0 0 0999 V2000 3.0491 1.0076 -1.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6138 -0.1300 -2.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -1.1796 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 -2.0137 -1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3478 -3.0990 -1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -3.3958 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5834 -2.5906 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 -1.5231 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 -0.9018 0.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 -1.5059 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 -2.5710 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 -1.0476 2.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -1.7681 2.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 0.2854 1.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 1.4568 1.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 2.4752 1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 3.6852 1.4808 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 1.7829 1.4123 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 0.3596 1.5006 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6628 -0.3941 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -1.5870 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6765 -2.3147 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -1.8625 -2.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 -0.6837 -2.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 0.0486 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -0.0770 -3.8651 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.8324 2.3294 1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 3.7009 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3601 4.1864 1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4202 3.2949 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1268 1.9490 1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 1.4582 1.2577 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 1.8090 2.1277 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1844 1.8694 -2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 1.2333 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 0.8723 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 -1.7977 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1882 -3.7157 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -4.2317 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 -3.2396 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 -0.0199 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7633 -1.9550 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 -3.2365 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -2.4349 -3.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 0.9602 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 4.4168 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5314 5.2565 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4421 3.6384 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 1.1998 1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 18 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 15 33 1 0 8 3 1 0 11 7 1 0 19 14 1 0 25 20 1 0 32 27 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 6 39 1 0 11 40 1 0 19 41 1 1 21 42 1 0 22 43 1 0 23 44 1 0 25 45 1 0 28 46 1 0 29 47 1 0 30 48 1 0 31 49 1 0 M CHG 1 33 -1 M END