PUBCHEM-ZINC05975500 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0270 1.6270 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.0900 -0.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5690 -0.1790 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.4410 -0.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0840 -0.0560 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -1.9760 -0.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0740 -2.3560 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -2.5540 1.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6780 -3.6470 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -1.9510 1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2510 -2.2720 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.4570 2.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -2.4530 2.3390 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -2.7470 3.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -3.5060 1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -2.2650 2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -2.1810 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -2.3930 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -2.4280 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 0.0170 -1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -0.5170 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 2.1460 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 1.8480 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 2.0660 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 1.9750 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.4860 1.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -0.2050 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -1.0990 1.9050 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 28 -1 M END