IFLAB-ZINC04248829 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 0 0 0 0 0 0999 V2000 0.4820 1.4060 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 0.0130 1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.6770 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 0.0220 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.4390 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 2.1170 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 2.1400 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 1.4570 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 0.0660 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -0.6590 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.0540 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 -2.6930 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 -2.0590 -0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -4.1940 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 -4.7470 -0.4180 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 -6.4870 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -7.1010 -0.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -8.4250 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -8.6500 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 -7.4230 -0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -7.1730 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3390 -7.0790 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 -8.2170 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3120 -8.1360 2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 -6.9140 3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9020 -5.7680 2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3950 -5.8550 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -4.7030 3.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -5.1400 4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8150 -6.5670 4.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.9300 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -0.5280 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -1.7570 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 3.1960 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 3.2200 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 2.0040 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -0.4520 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -2.5640 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -4.6420 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -4.5000 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -9.1790 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -9.6110 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 -7.9910 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9640 -6.2370 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 -9.1710 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 -9.0270 3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 -4.9680 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0190 -4.8940 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 -4.6940 5.3870 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END