PUBCHEM-ZINC05037776 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 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 0.6040 -0.6060 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.9920 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -2.5660 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -1.7750 -3.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -0.4560 -3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 0.1230 -2.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 0.5520 -4.3220 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -0.7300 -5.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.9450 -2.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.8370 -0.0710 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0880 -3.1950 -0.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -3.1760 0.8840 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 3.5580 -0.2610 -6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -1.3420 -4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -1.3580 -5.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -4.5160 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -4.3380 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END