IFLAB-ZINC00125875 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 0.9370 -0.0310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.8170 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -1.1290 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -0.0400 0.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8700 0.9250 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -0.8750 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -1.7890 0.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 0.1850 -1.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 1.4470 -1.0560 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 2.5980 -0.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 1.5840 -2.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 0.8280 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 1.4040 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 0.9910 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5470 0.0130 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3910 -0.5620 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 -0.1530 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -0.8070 -1.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2330 -0.8590 -2.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -1.2960 -2.0480 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8490 -0.5760 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 0.1270 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 0.9480 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -1.7720 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -0.2150 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -1.8020 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -1.6250 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -0.7140 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 2.1640 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 1.4290 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -0.3070 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 -1.3320 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -0.5160 2.3800 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