PUBCHEM-ZINC03093808 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5700 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -2.0970 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -2.5560 -1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -4.1520 -1.4130 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -4.2800 -1.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -4.5280 -2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -5.0710 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -5.3130 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -6.0340 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -6.5140 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -6.2730 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -5.5550 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -7.2850 3.2840 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2190 -7.4970 4.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -7.7080 3.2820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.2510 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.2340 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -2.5280 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -2.4120 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -1.9250 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -4.9380 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -6.2220 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -6.6470 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -5.3700 -0.8880 H 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 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 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 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END