PUBCHEM-ZINC00675112 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.4500 0.7880 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.5780 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -1.0810 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -0.2150 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 1.1520 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 1.6520 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.8580 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 0.7220 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -0.5140 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -2.0430 -0.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 -1.9270 0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -2.8860 0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -2.5470 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -2.2840 -2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -2.6770 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -3.3380 -4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -3.6010 -3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -3.2100 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -3.7370 -5.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -4.1170 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 -4.2060 -5.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -4.4260 -7.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -4.3260 -8.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -4.6160 -9.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0510 -5.0070 -10.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 -5.1090 -9.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 -4.8150 -8.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 -5.5280 -10.1160 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4400 -5.6190 -9.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 -5.7830 -11.3030 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1910 -5.3710 -12.0640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 1.1800 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -1.2530 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.1490 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 2.7190 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.4590 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4820 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 0.7640 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 0.7870 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -1.7700 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 -2.4710 -4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -4.1140 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -3.4170 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -3.7400 -6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -4.0210 -8.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -4.5380 -10.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 -4.8900 -7.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END