PUBCHEM-ZINC03954401 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0670 1.4520 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.0600 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -0.6340 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1480 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -0.4040 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.4950 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 0.4080 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 2.1170 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -2.0350 0.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.5670 -0.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -3.9690 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -4.6500 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -6.0420 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -6.7520 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -6.0960 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -4.7040 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -8.5530 -0.1270 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -8.8520 0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -8.7760 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -9.0970 -1.5780 N 0 5 0 0 0 0 0 0 0 0 0 0 0.8780 -8.8410 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 2.0020 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.4910 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.2010 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -4.0910 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -6.5640 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -6.6580 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -4.1860 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 20 -1 M END