PUBCHEM-ZINC05804726 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.0820 1.2490 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0500 0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.5500 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.1360 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -0.7900 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -2.0800 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -2.1990 0.7350 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 -3.2740 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -2.9940 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -1.6180 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 -0.4850 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.5190 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.0220 -0.2120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9840 3.4540 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 3.6550 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 5.1200 -2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 6.8400 -4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 7.0240 -5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 6.4580 -6.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 5.0520 -6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 4.7560 -4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 2.2990 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 1.7180 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -3.5000 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -4.1570 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -3.7750 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 -3.0340 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -1.5870 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 -1.4590 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 -0.3110 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 0.4280 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 3.7420 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 4.0590 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 3.3230 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 3.0190 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 5.4540 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 5.7530 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 7.2180 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 7.3200 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 8.0910 -5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 6.5700 -5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 4.6830 -7.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 4.5510 -6.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 5.2230 -4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 3.6780 -4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 1.8700 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 3.2910 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 5.3480 -3.8990 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3240 4.9030 -4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 12 2 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 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 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 48 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 13 1 M CHG 1 48 1 M END