PUBCHEM-ZINC03874621 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 0 0 1 0 0 0 0 0999 V2000 -0.0240 1.5340 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.0040 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5290 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -2.0590 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -2.5920 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4020 -2.1630 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -4.0930 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -4.7860 0.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.6660 -1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -6.1260 -1.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1210 -6.5710 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -6.6150 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -6.3160 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -6.6910 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -7.1320 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -6.5300 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -5.6820 -2.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -7.8330 -2.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -8.2040 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -7.4640 -3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -7.8320 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -8.9370 -5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -9.6760 -5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -9.3160 -4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -9.3280 -6.6830 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5750 -8.6780 -6.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -10.3010 -7.3810 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.2290 1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -1.3200 1.3250 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -0.0510 0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.9130 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.8920 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8860 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.3480 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -0.3540 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -0.1770 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -0.1710 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -2.4110 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.4170 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -4.1120 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -6.1030 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -7.6900 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -5.2530 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1780 -7.7530 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9030 -6.4770 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 -6.1090 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -6.8640 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -6.9180 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -8.1940 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -8.5140 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -6.6010 -3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -7.2570 -4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -10.5380 -6.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -9.8960 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -2.1100 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -1.0040 2.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 -0.4600 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -2.9540 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 55 58 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END