PUBCHEM-ZINC06047086 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 -0.8630 -0.0980 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -1.5780 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -1.8430 0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -3.1090 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -3.9690 0.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -3.4500 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -3.3870 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -3.7400 3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -4.1720 4.6090 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -3.8570 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -3.9930 3.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -4.3990 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -4.6440 5.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -4.5480 4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -5.0100 6.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -4.0830 7.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -4.5070 8.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -5.8590 8.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -6.7860 7.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -6.3620 6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -6.3130 10.2940 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8520 -5.4960 11.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -7.5040 10.5440 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6910 -3.7630 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -3.6210 3.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -3.9400 5.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 -3.9600 5.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -4.1120 6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -2.9620 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 0.5130 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 0.1000 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 0.1460 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -2.1890 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.8230 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -3.7970 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -3.5870 4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -5.2810 4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -3.0270 7.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -3.7830 9.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -7.8420 8.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -7.0860 5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 -3.0100 5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -4.1120 6.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 -4.7710 5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -5.1550 6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -3.8290 7.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.4800 5.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -1.8830 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -3.4640 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -3.2340 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END