PUBCHEM-ZINC06092157 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.3950 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0180 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.5900 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 0.1530 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 1.5440 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 2.1550 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 3.6040 0.4200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0740 4.1130 0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 4.2370 0.5560 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8890 -0.4800 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -1.2390 -1.6510 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -2.2290 -1.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -0.1340 -2.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 1.8500 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.5880 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 2.1400 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.2570 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -1.2510 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 -1.8120 -1.4590 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3180 -1.9430 -0.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -2.1700 -1.0190 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 19 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 19 -1 M END