CHEMBRIDGE-ZINC00084259 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 0.0180 1.5260 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.0040 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.5890 -1.4770 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -2.3420 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -2.9110 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -4.2690 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -5.0940 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -4.5250 -2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -3.1560 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -2.5490 -3.4850 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4840 -3.2610 -4.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -1.3370 -3.5940 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5960 -6.5600 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -7.2760 -1.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -7.1060 0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -8.4940 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -9.3460 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -10.7130 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -11.1830 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -10.3500 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -9.0430 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.8990 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 1.8910 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.8780 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.3690 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.3770 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -2.2770 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -4.7060 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -5.1580 -2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -6.5380 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -8.9500 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -11.4030 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -12.2480 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -8.3920 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END