PUBCHEM-ZINC06645125 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -1.1020 0.6680 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -0.7500 2.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -1.3050 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -2.6770 3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -3.2380 3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -2.4340 4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -1.0660 4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.5000 3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -3.0490 5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -3.0970 4.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -2.0840 4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -1.0840 5.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -2.2550 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -1.3900 4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 -0.0340 4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3570 0.5460 5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 1.8170 5.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 2.5260 5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 1.9560 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 0.6870 4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 2.7160 4.8650 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7710 2.2180 4.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 3.8410 5.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1760 -3.8540 3.4420 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -4.1700 4.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -5.5770 3.9220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.1510 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 0.9800 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.9570 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -3.3060 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -4.3060 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.4400 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 0.5690 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -2.4470 6.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -4.0600 5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2990 -1.7000 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 -0.0040 5.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 2.2650 6.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 0.2470 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 3.7800 6.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 4.4780 5.5750 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END