PUBCHEM-ZINC04648317 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0170 1.5040 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.0030 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.5900 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -1.9860 1.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -2.9750 0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2660 -3.1930 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -4.0230 0.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0770 -4.9340 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.9770 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -3.0260 3.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -4.2750 0.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -5.4610 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -6.3220 1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -5.7200 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -7.1100 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -8.1760 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 -9.4510 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -9.6600 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -8.5940 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -7.3180 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -2.3510 -1.3350 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -3.0650 -2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -0.6520 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 0.2300 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.2980 3.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 1.8660 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 1.8720 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 1.8630 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -3.5870 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -5.6290 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -4.9920 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -8.0130 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -10.2840 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 -10.6570 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 -8.7570 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -6.4850 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.6550 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.0720 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 1.5640 2.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 2.0590 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 0 0 0 0 M END