SIAL-ZINC04828816 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 0 0 0 0 0 0999 V2000 -0.1740 1.6570 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.2150 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -0.4420 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 0.3100 -0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -0.4430 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -1.9660 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -2.4760 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -3.9980 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -4.5820 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -3.7930 3.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 2.2250 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 3.6780 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 4.2290 -0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.6960 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 2.2820 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.3940 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 0.1740 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 0.2500 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -2.3410 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -2.3370 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -2.1340 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -2.0350 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -4.3280 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -4.4410 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 2.1570 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 1.6150 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -5.8040 2.8870 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5270 4.1550 0.3270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 -1 M END