PUBCHEM-ZINC04985399 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.0570 1.0130 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.1260 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -0.5760 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.1330 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.2860 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 1.7090 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 2.0040 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 3.3320 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 4.0530 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 4.4640 -3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 4.9310 -4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 6.2560 -4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 5.9640 -2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8110 5.4130 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 7.2100 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 7.5400 -1.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 8.4240 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -0.3670 0.8920 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9950 -1.5560 0.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 0.4270 1.4810 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0420 1.3550 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -0.6630 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.4660 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 2.5800 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 1.3890 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 3.9350 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 4.6110 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 3.3670 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 4.8830 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 3.3740 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 4.2190 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 5.0240 -5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 6.5800 -4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 7.0350 -4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 7.0090 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 8.0560 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 5.0450 -2.2770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9770 5.7240 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 37 1 M END