CHEMDIV-ZINC06806444 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7100 -0.0490 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -2.0210 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -0.0160 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.3800 -4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 1.6430 -5.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 1.7820 -6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 0.5880 -6.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.7220 -5.8780 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 0.4260 -8.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 1.4050 -8.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -2.3720 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.3060 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -2.4690 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -0.9810 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 0.7360 -3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 2.4910 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 2.7400 -6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.1130 -2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -0.7560 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -0.8100 -8.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -0.8660 -9.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 M END