IBS-ZINC00272331 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.2670 1.4900 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 0.0260 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -0.3290 0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.7620 0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -2.1420 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -2.8390 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -4.2570 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -4.5560 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -3.1580 0.1500 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -5.3560 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -6.2850 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -7.3570 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -7.5070 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -6.5860 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -5.5130 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -2.1200 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -0.8390 -0.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6450 2.0940 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 1.7010 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.7580 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -0.3360 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -5.5310 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -6.1740 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -8.0710 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -8.3380 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 -6.6950 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -4.7910 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -2.7760 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 2 0 0 0 0 M CHG 1 17 -1 M END