SIAL-ZINC02166662 MOE2007 3D CORINA 3.40 0006 02.08.2006 13 12 0 0 0 0 0 0 0 0999 V2000 -0.1250 1.4690 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.0720 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.5230 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 2.0980 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 3.4260 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 4.7000 0.0590 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 3.6640 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 1.8230 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 1.7870 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 1.3970 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 2.9140 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 4.6170 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.6810 -0.0120 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M CHG 1 13 -1 M END