PUBCHEM-ZINC03870380 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.2150 1.4770 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.0060 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.4350 0.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3980 -0.0440 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 0.1920 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 0.9140 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -1.9660 0.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4520 -2.3500 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -2.4170 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -3.8710 0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -4.6620 0.9210 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -6.0840 0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -3.9690 2.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -4.3960 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -5.1350 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -4.9440 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 -4.0160 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -3.2960 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 -3.4820 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8140 -3.8390 -4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.7250 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.0270 1.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.7310 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 2.1060 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 1.7260 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.2200 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.5720 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -0.0580 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -2.2010 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -1.9140 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -4.3700 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -5.8540 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -5.5230 -3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0790 -2.5830 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 -2.9130 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6540 -4.5400 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2060 -2.8180 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -4.0150 -4.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -3.9930 0.9670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END