IBS-ZINC02694798 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 0.5580 1.5820 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 0.2060 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -0.6410 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -0.0640 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 1.2690 0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 2.0610 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -2.1020 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.4930 0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -2.8690 -0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -4.2400 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -5.0500 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -6.3620 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -7.5160 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -8.7830 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -8.8970 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -7.7770 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -6.5160 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -4.9570 -0.3440 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -10.5410 -0.1920 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -10.3020 0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -11.3380 0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -10.9430 -1.7300 N 0 5 0 0 0 0 0 0 0 0 0 0 4.0960 -10.3000 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 2.2630 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -0.2000 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -0.6530 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 3.1250 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -2.4660 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -7.4080 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -9.6720 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -7.8810 -0.4490 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 22 -1 M END