PUBCHEM-ZINC04725757 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 -0.5860 -2.7530 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -1.8180 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -1.8700 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.3620 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -0.1330 -1.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7370 -0.7980 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -0.2810 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 0.6860 -0.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -1.5600 -1.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -1.8700 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -3.3540 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -4.1390 -1.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 -3.6690 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 -5.0530 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 1.2460 -1.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 1.6650 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 0.9450 -2.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 3.1390 -2.7610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5600 3.3490 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 4.0940 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 4.3390 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 4.4370 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -3.7620 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -2.8410 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -2.3970 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -2.1840 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -1.5250 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -1.2370 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -2.8910 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 0.2660 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 0.0000 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -2.3340 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -1.5920 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -1.2980 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4070 -5.1900 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 -5.3650 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 -5.6630 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 1.8830 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 5.0370 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 3.7060 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 5.2440 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 3.4910 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 5.4070 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 4.1940 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 3.4160 -3.5000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0800 2.5110 -3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 3.6900 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 45 1 M END