IBS-ZINC02139773 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 -1.4690 0.9140 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -0.2210 -0.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8830 0.3520 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 0.6920 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -0.2500 2.8920 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 0.0680 2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -1.3610 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -1.4330 0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.7390 -1.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -1.3010 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -1.4210 -2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -1.7760 -3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.6310 -4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -0.3720 -4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 0.7060 -5.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 1.5340 -6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.2830 -5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 0.2040 -5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 1.7140 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 0.5710 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 1.3540 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -0.3530 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 1.2570 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.7510 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 0.5680 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.6800 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -2.3920 -3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -2.4330 -4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -1.0030 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.9020 -5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 2.3750 -6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 1.9290 -6.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 0.0230 -4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 0.0560 4.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -1.8000 2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.0530 1.3110 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8480 -2.0080 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.3740 5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 34 38 1 0 0 0 0 35 37 1 0 0 0 0 M CHG 1 36 -1 M END