ENAMINE-ZINC00086717 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0690 1.0300 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.3480 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -0.9330 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -0.1060 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 1.2860 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 1.8620 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 3.2280 0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -0.6250 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -1.4320 -1.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5280 -2.6990 1.1180 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -3.2950 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -3.4840 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -4.5300 0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 1.4420 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -0.9680 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 1.9170 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 3.6420 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 3.8180 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -2.6000 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -4.2590 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -0.1590 0.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -2.5980 -0.2160 O 0 5 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 M CHG 1 9 -1 M CHG 1 22 -1 M END