PUBCHEM-ZINC02727640 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.1920 1.5090 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.0190 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5550 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.0860 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.5130 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -1.9850 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.4550 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -3.5700 0.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -3.3580 -1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -3.4580 1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -5.1970 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -5.7860 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -7.0610 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -7.7520 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -7.1570 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -5.8840 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -9.0410 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -10.2410 0.8610 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -9.7340 2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -11.4380 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -10.4510 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -9.7970 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -9.9620 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -10.7790 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -11.4330 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -11.2720 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 -10.9540 -1.0960 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4090 -10.3780 -0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 -11.6750 -2.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8230 1.9050 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 1.8920 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.8200 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.4140 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -0.1800 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -0.2240 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -2.4700 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -2.4660 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -2.3020 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -2.3560 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.0530 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -0.0800 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -5.2480 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -7.5200 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -7.6910 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -5.4230 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -9.2340 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -9.1580 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -9.4510 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -12.0720 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -11.7860 -1.2870 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 7 1 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 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 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 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END