IBS-ZINC02446847 MOE2007 3D Structure written by MMmdl. 36 39 0 0 0 0 0 0 0 0999 V2000 12.5340 3.8420 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3940 2.9870 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5870 1.9740 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 1.1740 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 1.4570 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 2.4650 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1830 3.2640 -2.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 0.1630 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 1.5790 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 0.9310 -0.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 1.2870 -1.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 2.5630 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 2.5770 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 1.8310 0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 1.1500 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 2.1020 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 1.5830 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 2.1060 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 3.0930 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 3.6050 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 3.0770 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2930 1.6300 0.2430 Br 0 0 0 0 0 0 0 0 0 0 0 0 13.3060 3.2240 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1860 4.5610 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9660 4.4110 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 0.3940 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 3.5600 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 2.3850 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 0.8260 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 1.7420 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 3.4670 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 4.3620 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 2.5030 -1.9920 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4860 3.1260 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 3.3350 -0.9710 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8530 4.0060 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 33 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 35 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 33 1 M CHG 1 35 1 M END