RDKit 3D 42 47 0 0 0 0 0 0 0 0999 V2000 3.4348 2.9701 -0.7851 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 2.4961 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 0.9824 -0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 0.4077 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3721 1.2849 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 0.9484 -1.3301 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.7776 1.9297 -1.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 3.2927 -2.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 3.6774 -1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 4.8732 -1.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 4.6095 -1.4353 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 3.2573 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 2.6830 -1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7817 -1.1525 -1.0906 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2825 -1.7031 -2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 -2.5981 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 -3.1058 -2.8055 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -3.2263 -0.2541 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4997 -4.6225 -0.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 -3.0572 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -1.6318 0.3867 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3069 -1.5796 1.0963 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -1.2332 -0.4902 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1446 -1.7613 -1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 0.1947 -0.6685 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8894 -0.0293 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 2.0596 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 1.4435 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 3.2115 -3.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 4.0600 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 5.8920 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 5.2970 -1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 -1.3588 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -2.7685 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -4.7811 -0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -3.7932 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -3.3258 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 -0.9520 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 -1.6921 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 -1.4427 -2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -2.8592 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 0.6909 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 3 25 1 0 4 14 1 0 14 24 1 0 24 23 1 0 23 25 1 0 5 13 1 0 12 13 2 0 14 15 1 6 12 2 1 0 5 4 1 0 3 2 1 0 5 6 2 0 13 9 1 0 9 8 1 0 8 7 1 0 7 6 1 0 3 4 2 0 12 11 1 0 14 21 1 0 9 10 2 0 11 10 1 0 15 16 2 0 2 1 2 0 16 18 1 0 16 17 1 0 18 20 1 0 18 19 1 0 20 21 1 0 23 22 1 0 22 21 1 0 15 33 1 0 18 34 1 1 20 36 1 0 20 37 1 0 21 38 1 1 24 40 1 0 24 41 1 0 23 39 1 1 25 42 1 0 8 29 1 0 8 30 1 0 7 27 1 0 7 28 1 0 6 26 1 0 11 32 1 0 10 31 1 0 19 35 1 0 M CHG 1 6 1 M END