PUBCHEM-ZINC04762674 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.3800 1.0100 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.1740 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.1150 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.4370 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 1.2690 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 1.5570 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 0.1090 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.9550 -1.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.2480 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -0.6890 -0.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 -2.2560 -2.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -2.8020 -2.8800 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5140 -2.7030 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -2.1240 -4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7740 -0.7520 -3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 0.4450 -4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 1.4640 -3.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 2.4450 -3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 0.9630 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1180 -0.4280 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2740 -1.1890 -3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4630 -0.5360 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5140 0.8530 -2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 1.6290 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -4.2900 -3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 -4.7380 -3.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -5.0430 -3.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -6.4750 -3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -6.9920 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0340 -6.0870 -3.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 1.2320 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -0.2560 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -0.7770 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 1.6920 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 2.2030 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 0.9980 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -0.2060 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -2.6580 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 -2.7350 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -2.0680 -4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.6520 -4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -2.2740 -3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3530 -1.1240 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4450 1.3450 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 2.7100 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5890 -4.6550 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 -7.0020 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -6.6400 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 -8.2200 -3.7470 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 M CHG 1 49 -1 M END