PUBCHEM-ZINC03869305 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 44 0 0 1 0 0 0 0 0999 V2000 0.6790 -0.2800 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.1970 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -0.5300 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 1.7210 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 2.0310 1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 3.3110 2.0830 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 4.5060 1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.1740 -1.1880 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1090 -1.2650 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.4120 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 1.4230 -1.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -0.3300 -0.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.0150 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 0.5660 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 0.5870 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4090 0.5120 0.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 0.6690 2.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5170 0.6130 2.8720 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1160 1.2770 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 -0.8170 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 -1.4230 1.2660 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 -0.7690 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 1.0880 4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 1.2110 4.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 0.2410 -2.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -1.3440 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 0.2830 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.1540 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.3570 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -0.1910 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -1.6140 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 2.2710 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 2.0630 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -1.1380 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -0.9570 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 0.6740 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 1.5860 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -0.0410 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4600 0.8090 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9360 -0.9180 3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 -1.5110 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 1.1420 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 3.2670 3.2220 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8430 3.0070 2.4950 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7800 1.2900 4.7940 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 -1 M END