PUBCHEM-ZINC05797186 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 1.8120 1.5260 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 0.0870 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -0.9010 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -2.2370 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -2.5990 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -1.6160 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.2790 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -3.9370 -1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -4.5110 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -4.0750 -2.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -5.0150 -3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -4.8370 -4.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -6.2820 -2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -7.3590 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -7.5450 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -6.6240 -3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -7.1940 -4.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 -8.4900 -4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -8.7360 -4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -10.0050 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -10.9840 -5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -10.7180 -5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 -9.4710 -5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5230 -6.4930 -4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3620 -6.1640 -3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7130 -7.1440 -2.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -6.2090 -1.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -2.7350 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 2.0030 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 2.0680 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 1.6140 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -0.6390 -3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.9990 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -1.8930 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.4720 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -8.2190 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -5.6130 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -10.2260 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -11.9600 -5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 -11.4900 -6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6470 -9.2820 -5.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2180 -5.5850 -5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 -7.1050 -5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -2.5130 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -2.6250 -4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -2.0170 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6470 -4.9380 -3.4980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 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 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 47 -1 M END