PUBCHEM-ZINC05513678 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 2.1330 1.4000 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.0190 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6810 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -0.0010 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.3800 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4850 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 4.1720 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 3.5790 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 5.5150 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 6.2610 0.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3190 5.7650 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 7.7020 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 8.5690 1.3680 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 8.5180 1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 9.7640 1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 7.3900 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 6.3070 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.1610 0.0070 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0610 -2.7610 0.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.7780 -0.6400 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8640 1.9460 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -0.5150 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.5500 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 1.9110 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.9610 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 5.9880 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 8.0870 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 7.7540 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 7.5440 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 5.4510 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END