PUBCHEM-ZINC04599052 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3060 0.0090 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 -1.2930 -0.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.7000 -1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -2.9270 -1.1700 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -3.6140 -2.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -3.5660 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -2.1850 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -1.9160 -2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 -1.3340 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 -1.0200 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -1.2900 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -1.8760 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 -0.3960 -1.5490 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3490 -0.1580 -2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4780 -0.1200 -0.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9120 1.8580 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8330 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.5310 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.3390 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.0810 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -1.5930 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -2.1610 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -1.1230 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5170 -1.0450 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -2.0900 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 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 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END