IBS-ZINC02402238 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 2.6040 -0.3140 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -1.3850 -3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -1.3310 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -0.2040 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 0.8590 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.8120 -2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 1.9790 -0.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 2.3610 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 3.6540 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 4.1850 -0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 3.3180 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 1.9400 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 1.3880 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 0.1890 0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 1.0900 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 1.6230 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 3.0010 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 3.8710 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 5.3570 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 5.3940 -2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 6.5060 -3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 7.7500 -2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 7.4030 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 3.5300 0.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -0.1630 0.7860 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -0.3560 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -2.2630 -3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -2.1710 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 1.6480 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.4390 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 0.0150 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 0.9480 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 5.6750 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 5.8710 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 4.4370 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 5.2840 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 6.4710 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 6.4490 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 7.9480 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 8.6390 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 7.8410 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 7.6820 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 2.8180 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 5.8900 -1.2240 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7380 5.5550 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 44 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END