CHEMBRIDGE-ZINC04673292 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2130 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 4.0960 1.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3230 3.6450 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 5.5950 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 6.2830 1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 3.7240 2.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 3.5910 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 3.7790 4.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -0.6850 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7420 -0.0580 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -1.9020 -0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 3.9720 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 3.9450 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 3.5740 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 3.3180 3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 6.1670 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.0390 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -2.4280 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 7.1320 0.9580 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END