PUBCHEM-ZINC05314635 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.1850 1.3560 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.1590 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -0.7460 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.5670 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.5000 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -1.2530 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -2.1950 -3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -3.4010 -3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -3.6620 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -2.7180 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -0.0510 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -0.0700 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 0.4740 1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 1.0130 2.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 1.0130 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 0.5350 2.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 0.3500 1.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -0.2640 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -0.5270 -0.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0230 0.7860 2.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7460 0.9730 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7640 1.9760 1.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.8210 1.7800 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1810 1.7490 1.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9660 2.2160 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 0.2350 2.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.7880 -0.0770 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9640 -0.3180 2.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0320 -0.3750 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1940 -1.7800 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3210 -2.0980 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 2.3360 3.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5260 3.0080 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 3.1390 1.8280 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2450 1.6020 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 1.7480 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.8940 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -0.5800 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -0.2750 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -1.8210 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -0.6050 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.3080 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -1.9820 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -4.1320 -3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -4.5970 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -2.9410 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 1.4510 3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -0.4880 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0270 0.0610 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4650 -0.2400 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 34 -1 M END