PUBCHEM-ZINC05963857 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.3300 0.5460 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.8340 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -0.7970 1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3340 0.1530 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -1.7520 1.6520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0830 -2.7280 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.9770 -0.1550 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -1.4300 2.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7880 -1.3350 3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -0.1200 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -0.3400 0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -2.5350 1.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -2.2800 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -3.7180 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -4.0430 3.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -4.6700 1.9630 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8500 -4.0930 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -5.3660 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -5.6040 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -6.2590 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -6.6840 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -6.4710 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -5.8210 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -7.3160 -2.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -7.4670 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8630 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -2.3930 2.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -1.3390 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 1.2660 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 0.5090 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 0.9600 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 -5.2720 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -6.4260 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -6.7950 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -5.6620 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -0.7180 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.3760 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -1.2970 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -0.7740 2.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -1.1450 2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 0.9670 2.0860 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2570 -5.6810 3.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7700 -6.4920 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -5.2530 3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -5.9930 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.0220 0.8890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 28 36 1 0 0 0 0 28 37 1 0 0 0 0 28 38 1 0 0 0 0 39 40 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 41 -1 M CHG 1 42 1 M CHG 1 46 -1 M END