RDKit 3D 52 56 0 0 0 0 0 0 0 0999 V2000 -5.0899 -0.0164 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1272 1.3302 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3188 1.4329 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8406 1.6779 -0.6079 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.4333 0.8450 -1.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 -0.4885 -1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.3618 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 0.7597 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 0.6634 1.7047 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 -0.8815 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -1.3213 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 -2.6248 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.3274 -0.0246 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 -2.6976 0.9817 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8219 -1.6263 1.7908 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 -2.3085 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 -2.9293 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 -2.0559 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 -0.9498 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -1.1078 0.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1366 0.2917 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 1.1603 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5185 2.3453 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 2.6818 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9078 1.8299 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 0.6434 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 2.2849 -1.6467 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2822 -3.1335 -1.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 1.9519 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 -0.1081 1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 -0.1348 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 -0.8525 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2438 2.1180 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3356 0.6151 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2568 1.3827 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3138 2.3818 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 2.6051 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.4822 -2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 0.6982 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -0.8381 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 -1.2505 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 -3.4923 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 -1.1436 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 -3.8941 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 -2.2212 -1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 0.9165 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 3.0011 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1252 3.6027 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4847 -0.0025 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -4.0140 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 2.7636 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 2.3168 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 12 28 1 0 8 29 1 0 29 4 1 0 11 7 1 0 15 10 1 0 20 16 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 14 42 1 1 15 43 1 0 17 44 1 0 18 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 26 49 1 0 28 50 1 0 29 51 1 0 29 52 1 0 M CHG 1 4 1 M END