PUBCHEM-ZINC05529209 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.2020 1.6960 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.1740 -0.1880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4310 -0.2410 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.1890 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -1.7110 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.3130 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.8500 0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.4070 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -2.9360 -0.9450 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -2.2390 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -4.1260 -0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -3.2740 -0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -2.2850 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -1.2500 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -0.2450 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 -0.2690 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 -1.2980 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 -2.3030 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -3.4020 -2.5490 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1370 -3.4640 -3.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 -4.2440 -2.4780 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8070 2.1080 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 1.9530 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 2.1100 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 0.2440 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.2050 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.1080 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.9680 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -3.4010 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -1.9880 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.0740 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -0.2380 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -1.2320 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 0.5600 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 0.5180 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9910 -1.3150 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 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 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 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