PUBCHEM-ZINC00318328 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.7040 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -0.5010 2.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -1.2040 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -1.4000 4.8400 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.9810 6.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -2.1690 6.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -2.6240 7.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -2.8940 8.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -2.7080 8.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -2.2460 7.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -2.0420 7.5650 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3080 -2.2750 8.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -1.6400 6.6190 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7450 -3.4760 9.7330 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -4.2050 10.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -4.1200 9.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -1.9690 10.6000 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.1660 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.4860 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -1.9590 5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -2.7710 7.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -2.9190 9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -1.4120 10.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -2.2370 11.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -1.3510 9.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END