IBS-ZINC02445345 MOE2007 3D Structure written by MMmdl. 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0790 -0.0380 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 1.4620 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 2.1100 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.5760 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 4.2100 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 4.2390 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 5.6240 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 6.2070 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 5.4250 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 4.0500 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 3.4410 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.1040 -0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 6.0170 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 5.8120 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 5.2140 2.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 6.2690 1.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 6.0450 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 6.9900 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.3540 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 0.4640 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -0.2400 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.0550 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 0.8320 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 1.5370 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 -1.0180 -0.3190 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.4960 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.3500 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.3540 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 6.2340 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 7.2790 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 3.4520 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 6.8780 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 5.9730 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4650 5.1190 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 7.0580 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 6.4550 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 7.9930 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 0.3230 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -0.9340 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 0.9730 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 2.2290 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END