PUBCHEM-ZINC01475685 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -4.1730 -2.4960 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -4.6400 -1.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -4.6630 -2.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -4.6820 -3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -5.3570 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -5.7570 -5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -5.4810 -6.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -4.8040 -6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -4.4120 -5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -3.6950 -5.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.4560 -6.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -3.3450 -4.2760 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4340 -5.9890 -7.7320 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 -6.8070 -7.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -2.0270 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -2.0110 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -5.5700 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -6.2830 -4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -4.5880 -7.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -6.0960 -6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 -7.6480 -6.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -7.1680 -7.9260 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END