PUBCHEM-ZINC05529169 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0300 1.5220 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.0040 0.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5280 -0.2330 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.6480 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -2.1700 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -2.6020 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -1.9710 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -0.5160 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 0.5180 0.1120 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -0.2910 0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 1.5730 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 1.1380 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 0.2990 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 0.2500 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -0.6020 -3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.4070 -4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -1.3600 -3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -0.5040 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -2.3200 -5.2500 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8230 -2.3630 -5.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -3.0290 -5.8670 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9790 1.9230 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 1.9710 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 1.7520 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -0.3440 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.3340 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -2.4820 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.6380 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -3.6880 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -2.2690 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.3720 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -2.1940 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 0.8780 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -0.6410 -3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -1.9890 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -0.4650 -2.7320 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 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 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 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 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