PUBCHEM-ZINC05621401 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.3300 1.2280 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.0840 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -1.0720 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -0.6460 -1.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.0650 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 1.8200 -0.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5790 3.2210 -1.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1890 4.1140 -0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 3.3960 -2.0410 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4150 1.5210 -2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.6040 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.2980 -1.4360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0810 -2.0840 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -1.9320 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -1.2640 -1.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.3550 -2.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 0.0580 -3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -0.2690 -3.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.9220 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -2.0900 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -1.5040 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.8850 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.3000 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 0.2170 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -0.0360 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 0.7640 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -3.0260 -0.5080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 27 -1 M END