PUBCHEM-ZINC00987853 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6950 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0830 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7330 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9740 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6460 -1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.7830 -2.7660 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.4220 -3.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -0.7180 -4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 0.2600 -5.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 0.2590 -5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -0.7350 -4.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -1.0340 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -1.0530 -4.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9380 -2.0710 -3.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -0.3320 -4.6370 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1580 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6430 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8120 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 0.9670 -5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -1.7320 -4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -0.1120 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.4800 -3.0930 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 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