PUBCHEM-ZINC04533931 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.2280 2.0830 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 0.6970 -0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -0.0100 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.3590 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -2.1950 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.6830 -3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.3390 -3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 0.4950 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -2.6030 -4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -3.7740 -4.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -2.0160 -5.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -2.6400 -6.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -1.8710 -7.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -2.5090 -8.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -3.7930 -8.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 -4.4310 -7.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -3.9420 -6.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -1.5470 -9.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -0.3840 -8.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -0.5440 -7.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -1.7230 -10.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1180 -2.7310 -10.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 -1.4220 -10.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9390 -0.4550 -9.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -1.1830 -11.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2450 -2.1220 -12.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 -0.4090 -12.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7020 -0.7140 -13.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 -0.7880 -11.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 1.1110 -12.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 1.7170 -12.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 1.2210 -12.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -0.4940 -11.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9490 -0.9540 -11.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 -2.4640 -9.8210 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1250 2.6120 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 2.2380 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 2.5030 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -1.7620 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -3.2430 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 0.0790 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 1.5310 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -1.0440 -5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -5.4790 -8.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 0.5390 -8.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 1.4730 -11.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9490 1.4570 -12.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 42 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 43 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 35 -1 M END