PUBCHEM-ZINC05605820 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.5540 0.7600 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -0.6510 -0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -1.2030 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -0.5300 -0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.6640 -0.9490 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7670 -2.8520 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -3.5090 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -4.9590 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -5.4860 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -6.8170 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -7.6200 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -7.0940 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -5.7640 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -3.0200 -0.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -2.8190 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -2.3410 -2.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -3.1790 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -4.4720 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -4.8010 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 -3.8530 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0640 -2.5700 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 -2.2260 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -0.8500 -1.9550 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2970 -0.0560 -2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -0.5130 -2.0530 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5810 1.0790 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.3370 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.9240 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -3.1820 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -3.3880 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -4.8580 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -7.2280 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -8.6600 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -7.7210 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -5.3530 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -3.4020 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -5.2130 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -5.8010 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4120 -4.1160 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -1.8350 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 35 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END