PUBCHEM-ZINC04599210 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3720 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.0540 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4410 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 3.5730 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0580 4.1530 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 4.2100 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4470 -0.8750 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -0.6830 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -2.1160 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -1.9950 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -3.3950 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -4.6100 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -5.7970 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -7.0480 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -8.1770 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -8.0980 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 -6.8800 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -5.7200 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -4.5260 0.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -3.4350 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 -2.5150 -0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -9.8620 -0.5110 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8950 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 2.0090 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -4.6520 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -7.1180 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 -8.9980 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 -6.8300 0.3080 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 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 29 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 30 1 0 0 0 0 18 19 1 0 0 0 0 18 25 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 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END