PUBCHEM-ZINC02002698 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0090 1.4630 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.0650 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -0.6290 -0.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.4150 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -3.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -3.3330 1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 1.9580 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1420 1.4430 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 3.4910 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 3.9480 0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 1.8100 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.9130 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.4960 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -0.4430 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -2.7880 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.6070 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -3.3990 -1.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3310 4.0290 -1.2520 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8170 1.6650 1.4490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6380 1.0650 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 1.4160 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 2.6600 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 18 -1 M CHG 1 19 1 M END