PUBCHEM-ZINC00873575 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.4690 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0120 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.7810 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.4380 0.7760 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.0470 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.7570 -1.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.9580 -1.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.3870 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -5.0800 -3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -5.3610 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -5.9730 -4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -6.3040 -5.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -6.0180 -4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -5.4050 -3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.2760 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.9850 2.7040 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8740 1.9160 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 1.7640 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 1.8850 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -2.6080 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -4.6880 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -4.7200 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -5.0950 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -6.1890 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -6.7800 -6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -6.2680 -5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -5.1730 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -1.1260 3.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 2 0 0 0 0 M CHG 1 16 -1 M END