PUBCHEM-ZINC03642174 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -1.3880 0.1020 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -0.0230 -1.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0660 -0.7510 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.5060 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -1.4620 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -1.8950 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -2.9150 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -3.5200 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -3.1050 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -2.0820 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -4.8730 3.8820 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -4.7870 4.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -4.5240 4.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -6.1880 2.9880 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.8630 -6.2920 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 1.5570 -0.7750 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 1.3040 0.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 2.5270 -0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 0.3940 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 0.8520 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -0.8520 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -0.0620 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -1.4250 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -3.2330 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -3.5790 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.7780 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 1.7680 -2.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 27 -1 M END