IFLAB-ZINC05258385 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -1.3600 1.4840 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 0.1350 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.5070 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -1.7450 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -2.3430 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -1.7060 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -0.4650 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 0.1800 -2.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.5380 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -1.7500 -3.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 0.1640 -4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.8740 -6.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0800 -1.5400 -5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -0.1740 -7.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.2400 -8.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -2.6980 -7.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -3.5830 -7.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -2.7180 -7.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -1.6130 -6.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -0.7850 -6.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -3.6680 0.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1500 -4.2300 1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -4.1950 -0.6810 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6300 2.2670 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 1.5980 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 1.5620 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -0.0430 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -2.2450 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.1730 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 1.1450 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 0.7730 -5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.8020 -4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -3.3080 -6.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -2.2300 -8.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -4.3450 -7.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -4.0610 -6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -2.2700 -8.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -3.3370 -7.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -0.9690 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -2.0610 -5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.3270 -7.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -0.0060 -5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 0.5230 -7.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -1.6570 -6.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 0.9550 -8.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END