IBS-ZINC05529512 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 -0.5520 2.1220 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 0.7620 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -0.1070 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 0.3480 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 1.7260 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 2.5990 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 2.1600 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 1.2010 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 1.5190 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 0.5320 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 -0.7960 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 -1.1210 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 -0.1510 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 3.5250 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 4.0880 1.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9560 3.4270 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 5.4800 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 5.4170 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 4.6850 0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 6.2930 -0.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 6.3070 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 6.9250 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 4.3420 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 5.1510 2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 2.8140 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 0.3740 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -1.1730 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 3.6670 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 2.5540 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 0.8070 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -1.5780 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -2.1640 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 4.1460 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 6.0780 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 6.0320 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -0.5570 -0.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 3.7280 3.5310 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 36 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 37 -1 M END