PUBCHEM-ZINC02865402 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 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 -0.7120 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0970 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6980 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9920 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6540 -2.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -4.2710 -2.4340 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.6400 -3.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -4.8930 -1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -4.4620 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -4.4160 -2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -4.5660 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -4.7630 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -4.8100 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -4.6640 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -4.9220 -0.6890 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9430 -4.8800 -1.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -5.0950 0.4880 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 0.0260 -0.1960 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6780 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.1700 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -4.2630 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -4.5300 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -4.9630 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -4.7050 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 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 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END