PUBCHEM-ZINC04879992 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.3450 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.4290 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 0.6840 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 1.7510 0.0290 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6910 3.1500 0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5530 3.2860 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 3.5920 1.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2890 2.7290 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 4.2520 1.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3450 3.7140 2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 4.1300 0.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8620 3.2390 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 4.0160 -0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 5.3790 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 5.1980 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 5.6240 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 4.5360 1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 0.7260 0.1580 S 0 5 0 0 0 0 0 0 0 0 0 0 -1.7770 -1.8320 0.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9740 -2.7460 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -2.0710 0.1330 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8510 1.9850 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 6.2430 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 5.5430 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 5.9520 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 6.0870 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 4.8470 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.5690 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 5 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END