PUBCHEM-ZINC04774523 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 0.5920 1.4410 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 0.0610 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -0.6880 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -0.0550 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 1.3260 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 2.0740 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 3.5790 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 4.1780 1.7570 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 5.9140 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 6.8160 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 6.6890 3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 5.6160 4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 5.8800 6.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 7.1230 6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 8.1600 5.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 7.9950 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 8.8720 3.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 8.1900 2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 8.5810 1.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 7.7000 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 6.4000 0.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 10.3300 3.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7310 10.6090 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 10.9680 3.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3780 11.1940 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 12.2700 2.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3680 13.1390 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 12.2650 2.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5880 12.8420 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 10.8740 2.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 12.8310 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 12.9260 1.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 12.2510 0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 10.1020 2.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 4.3120 4.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -2.1660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5340 -2.7230 -0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -2.8250 0.1780 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3030 2.0260 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -0.4340 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -0.6400 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 1.8200 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 3.9000 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 3.9860 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 7.2960 7.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 8.0550 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 12.1710 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 13.8210 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 13.2780 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 13.0450 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 10.4530 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 4.0240 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 3.6850 4.7090 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 39 1 0 0 0 0 2 3 2 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 M CHG 1 36 1 M CHG 1 38 -1 M END