IBS-ZINC00554201 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 1.1940 -1.8980 -2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -0.7080 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.1260 -1.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6980 -0.9270 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.5120 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 1.0740 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 1.5880 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 0.9160 0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 2.8320 -0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 3.5850 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 3.1500 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 3.9400 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 5.1800 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 5.6250 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 4.8350 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 6.9340 -2.0780 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1810 7.6140 -2.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 7.2820 -2.4650 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4100 0.8720 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 2.0750 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -1.6050 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -2.6780 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -2.3320 -3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 0.0670 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -1.0370 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -0.2360 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 1.3030 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 1.8890 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 0.2940 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 3.2420 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 2.1910 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 3.5790 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 5.7770 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 5.1880 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 0.3600 -0.2860 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 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 30 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 35 -1 M END