PUBCHEM-ZINC06076443 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.3350 3.0120 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 1.6330 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 1.3700 -0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 0.1870 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -0.6030 0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -0.1470 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 0.1700 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1970 -0.2260 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -1.0120 -1.4600 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -0.7880 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -1.1990 -2.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -1.8230 -3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -2.0250 -3.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -2.2570 -4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -3.0000 -5.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -3.5770 -5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -3.5250 -6.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 -4.0680 -6.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0040 -4.6640 -5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -4.7200 -4.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -4.1860 -4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3940 -5.3600 -2.9530 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.5010 -5.8360 -2.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5630 -5.4100 -2.0640 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.4330 -0.0280 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 0.8780 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 3.2100 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 3.0360 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 3.7730 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 0.8720 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 1.6100 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -1.0380 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -1.9820 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -3.1710 -6.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -3.0590 -7.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 -4.0290 -7.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9850 -5.0880 -5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -4.2340 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8950 0.9260 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -0.8360 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 -0.0290 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 1.9540 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 0.5530 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 0.6370 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END