PUBCHEM-ZINC05498543 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 1.0450 -1.0780 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 0.0750 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 1.4860 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 2.2950 0.2480 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 3.9610 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 4.1800 0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 5.4350 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 6.4600 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 6.1030 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 4.8760 -0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 7.2670 -0.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 8.2610 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 7.8090 -0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 7.4360 -0.9690 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6500 6.5160 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 7.8580 -2.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8070 8.5730 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 8.6800 -2.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0750 9.3890 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 9.3740 -0.8100 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8800 10.2750 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 8.4880 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 9.7170 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 10.4760 1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 9.9670 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 7.7820 -1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 7.0260 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 6.8030 -3.1400 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5600 5.6530 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -2.1020 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 1.5470 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 2.0100 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 9.2900 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 8.8180 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4070 10.3200 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 4.8730 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 6.5900 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 0 0 0 0 M CHG 1 28 -1 M END