PUBCHEM-ZINC05422161 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 1.9270 2.5810 2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 1.5060 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.3050 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 0.8210 2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.7630 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -1.6220 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -3.0280 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -3.9300 2.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9080 -3.9820 3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -5.3320 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -3.3520 3.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -3.3600 4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -4.1650 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -4.1560 6.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.3310 6.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -2.5060 5.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -2.5190 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -1.5940 3.4640 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7170 -1.8180 2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 -0.6270 3.7990 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0680 2.1400 3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 3.1720 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 3.2690 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 1.9240 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.8580 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.0800 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 2.3870 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 1.0450 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 1.3250 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.2560 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -0.6850 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -1.1850 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -1.1440 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -1.6980 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -3.4910 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -2.9470 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -5.3120 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -5.9880 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -5.7860 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -2.9040 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -4.8400 5.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -4.8010 7.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 -3.3290 7.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -1.8610 5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 0.6470 2.1110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4930 0.5650 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 45 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 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 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 45 1 M END