PUBCHEM-ZINC03129773 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -2.0770 0.6560 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -0.7640 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -1.2180 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -2.5190 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -3.3720 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -2.9120 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -1.6120 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -3.8340 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -4.6880 0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -5.5260 1.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -5.2950 1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -6.8240 1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -4.7660 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -4.1830 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -3.5870 4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -3.5750 4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -4.1580 3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -4.7590 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -5.3890 1.7220 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5240 -5.4990 1.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -5.7970 0.7380 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3820 -2.8260 6.2250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 1.2980 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 0.7030 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 0.9940 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.5550 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -2.8730 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -1.2550 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -4.3560 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -3.2510 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.5600 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -5.1110 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -4.1930 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -3.1320 5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -4.1480 3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END