PUBCHEM-ZINC03871051 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.0510 0.9560 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.3840 -0.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -0.8570 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 0.0710 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 1.4140 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.9320 -0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 2.0820 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 1.1380 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -0.0890 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 3.5200 -0.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6440 3.9610 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 4.1700 -1.5180 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9870 4.4450 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 5.4570 -1.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8590 6.2310 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 5.0790 0.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1130 5.8820 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 3.9160 0.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 4.7630 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 4.7560 1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 4.5340 1.7790 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.4100 3.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3450 3.5000 0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5970 5.9580 1.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3780 7.2270 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6420 7.4050 2.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 8.3890 1.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9560 7.9860 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1650 9.1760 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 10.3500 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 11.0850 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7300 10.6730 -1.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 12.2760 -1.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 12.8290 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2430 12.6440 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 5.9370 -2.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 5.1030 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 3.5030 -2.2330 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6880 -2.2210 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 1.2900 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 1.4110 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 3.7790 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 5.5270 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 5.8340 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 8.4910 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 9.5480 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2330 11.0680 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6480 9.9900 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.8300 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -2.5710 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 9.2530 2.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3490 8.7000 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9740 9.5580 2.8060 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 40 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 36 37 1 0 0 0 0 39 49 1 0 0 0 0 39 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 38 -1 M END