PUBCHEM-ZINC05632951 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -1.1040 2.7260 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.3380 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.4360 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 0.3540 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -1.1220 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 -1.2520 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -1.9330 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -2.5540 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -1.8510 1.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 -2.5190 1.8480 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2840 -2.5770 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -3.9040 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -4.9870 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -6.2500 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -5.3390 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -1.7100 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 -0.9030 3.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -1.7070 -0.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -1.8000 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -1.3520 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.4770 -2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.0670 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -2.6780 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -3.7110 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -4.1380 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -3.5210 -2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -4.3580 -5.5600 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1620 -3.9890 -5.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -5.2350 -6.1410 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2690 3.4350 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 2.6900 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 3.1210 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.0100 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 0.4830 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 2.1760 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.7390 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 0.6800 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 0.4310 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -1.2710 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -3.7920 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 -4.2760 2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -4.6340 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -7.0220 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -6.0330 3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -6.6660 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -4.4830 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 -6.1420 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 -5.6770 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -2.0590 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -1.2660 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -2.3380 -4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -4.9490 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -3.8870 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 -1.9440 3.0860 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 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 39 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 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 54 -1 M END