PUBCHEM-ZINC03871103 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 0.0430 1.4110 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.0910 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -0.6450 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -1.8540 0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 0.1230 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -0.3560 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 1.4810 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 2.0400 -0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 2.1190 0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 3.5660 -0.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5470 3.7670 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 4.3610 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 5.0580 1.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1180 6.0010 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 5.2590 0.6730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0010 6.0770 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 4.0470 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 5.4840 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 5.8470 0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 6.6850 0.4950 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 8.0080 1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 4.2100 2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 3.4860 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.8550 1.3390 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 1.9800 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 3.7410 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 5.1110 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 4.5700 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 6.2790 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 6.7870 -0.8370 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5760 5.8160 1.5370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 30 -1 M CHG 1 31 -1 M END