PUBCHEM-ZINC05199838 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.7480 1.1120 S 0 0 3 0 0 0 0 0 0 0 0 0 0.5560 -2.1460 0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.3410 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -1.0890 3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -0.7700 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.2970 5.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.0440 4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 0.7220 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 0.6390 6.3250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9180 -0.0190 6.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 1.5790 6.9830 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2700 -0.3260 1.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -0.5540 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 0.4340 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 0.2060 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -1.0040 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -1.9900 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -1.7700 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -1.9230 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -1.3540 4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 1.8780 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.3040 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 0.0780 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 1.3790 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 0.9730 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -1.1800 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 -2.9340 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.5420 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END