PUBCHEM-ZINC00570123 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.1830 1.3690 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.1470 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -0.6770 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -0.8170 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -1.3710 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.6610 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -1.2070 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -2.3720 0.6550 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -0.5820 -1.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -1.0870 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -0.1500 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6360 -0.5660 -2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -1.9250 -3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0100 -2.8870 -2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -2.4490 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2970 -4.3630 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 -5.1770 -2.4090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0080 1.8620 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.7710 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 1.6480 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.3900 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.4370 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -1.7660 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.2430 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.0850 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 0.3890 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 0.9160 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3430 0.1680 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8460 -2.2440 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -3.2070 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4120 -4.6780 -3.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 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 25 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 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 2 0 0 0 0 M CHG 1 17 -1 M END