IFLAB-ZINC00125872 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 1.0190 0.2940 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.0810 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.1110 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -1.0670 0.7370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2350 -0.8150 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.0430 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -0.4560 -0.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -2.4470 0.8200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -2.8860 2.2640 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -4.2830 2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.4110 3.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -1.9680 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -0.9070 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -0.2010 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -0.5550 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 -1.6150 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -2.3180 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -3.3990 0.4120 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5120 -4.2280 0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.4020 -0.3620 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8170 0.2480 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 1.0380 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 0.6540 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -1.3620 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -1.9010 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -3.1280 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -2.0980 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -2.5750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -0.6040 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 0.6340 3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9730 0.0030 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 -1.8740 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.0550 1.0060 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 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 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 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 33 -1 M END