PUBCHEM-ZINC04774771 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.6900 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 0.0150 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -0.6650 -3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -2.0470 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.7580 -2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -2.0850 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.8030 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -2.7680 -4.2780 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9570 -2.1440 -5.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -3.9860 -4.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.4990 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 1.0950 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -0.1140 -3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -3.8380 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -2.3300 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.7720 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END