PUBCHEM-ZINC04544880 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 2.1330 1.4000 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.0190 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6810 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 0.0000 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.3810 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4850 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 4.1720 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 3.5800 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 5.6740 0.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7950 6.1080 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 6.0840 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 7.2930 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 6.8730 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 6.1880 0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 6.0560 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 5.4690 -1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 6.6360 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.1610 0.0040 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0620 -2.7610 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.7780 -0.6440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8640 1.9450 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -0.5160 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -0.5490 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.9120 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.9610 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 6.3860 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 5.2740 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 8.2110 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 7.4030 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 7.7520 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 6.1920 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 7.7140 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 6.1840 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 6.7130 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 6.3600 -1.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7730 6.7390 -1.4220 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END