RDKit 3D 52 56 0 0 0 0 0 0 0 0999 V2000 4.5940 0.7444 3.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 1.5128 2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7196 2.4870 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.5358 1.1885 N 0 0 0 0 0 4 0 0 0 0 0 0 2.1419 -0.4232 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 -1.5364 0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -0.9778 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 0.2954 -0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 0.7226 -2.3918 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -0.7733 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -1.6016 -1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 -2.8943 -1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9737 -3.2437 -2.4117 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3986 -2.1684 -3.3361 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3938 -1.1366 -3.6239 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -1.6002 -2.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0212 -1.7308 -3.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7618 -0.9144 -2.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 -0.3306 -1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5968 -0.7562 -1.7492 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 0.5962 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 1.0473 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2002 1.9347 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0235 2.3838 1.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 1.9425 1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.0595 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 2.5348 2.1936 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 -3.7959 -0.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 1.2419 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 0.1891 3.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 0.0402 2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 1.4337 3.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 2.0625 2.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 3.1070 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4559 1.9565 0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1637 3.1771 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9047 -0.0449 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6109 -0.8825 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 0.1862 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -2.2345 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -2.0947 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 -2.6546 -4.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -0.3968 -4.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 -2.3381 -3.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8335 -0.7724 -2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0821 0.7138 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1641 2.2752 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0785 3.0737 2.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 0.7297 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2131 -4.6081 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.0350 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 1.6693 -0.6045 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 6 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