PUBCHEM-ZINC06494298 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.4430 1.8200 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 0.6350 1.6100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6920 0.9630 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -0.4630 1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3360 -0.7920 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -1.6480 0.6300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4870 -1.3200 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -2.3120 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -3.8040 1.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3540 -3.8600 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -2.6960 0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -5.1080 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -6.1840 0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -4.8440 2.7740 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -4.7290 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -5.6650 4.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 -5.1000 6.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -5.0130 6.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 0.0760 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 0.8540 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 0.1240 2.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.4910 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 2.6020 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 2.2090 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -1.9780 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -2.1280 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -4.1110 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -5.0190 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -3.7040 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -5.3760 5.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -6.6900 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -4.7730 6.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -5.3060 6.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -4.6580 7.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -0.1870 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -5.0470 -0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -5.5720 5.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.3100 0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 0.0630 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -5.8870 -0.3630 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 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 37 2 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 21 35 1 0 0 0 0 36 40 1 0 0 0 0 38 39 1 0 0 0 0 M END