RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 -6.2522 -2.2786 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3644 -1.1077 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 -1.5996 -0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1871 -0.4169 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 0.5278 -0.1366 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 0.1996 1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 -0.1686 0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1221 1.5973 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6175 1.7753 -1.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 2.5282 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 3.7870 0.4129 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 2.7293 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 2.3694 -0.9982 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 1.5019 -1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2968 1.0518 -2.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 1.0876 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 1.5084 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 2.3506 1.3068 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 1.1118 2.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 0.2695 -0.4656 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 -0.1233 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 0.2918 1.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 -1.0394 -0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -1.7186 -1.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0196 -2.4619 -1.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -2.2000 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 -1.3492 0.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5405 -2.9240 -0.4945 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.7618 -2.9016 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4862 -2.9117 -0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1981 -1.9196 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 -0.5317 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 -2.1869 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -2.2639 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6335 0.1378 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -0.7761 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 1.0233 1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0403 -0.6428 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4359 -0.5974 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6566 0.7519 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7651 3.0496 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4909 1.9488 1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 2.5949 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 1.8318 3.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 0.8612 2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9427 0.0389 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -1.6970 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2688 -3.1089 -2.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 16 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 7 2 1 0 18 12 2 0 27 23 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 10 41 1 0 10 42 1 0 13 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 24 47 1 0 25 48 1 0 M END