PUBCHEM-ZINC04774769 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.5250 0.9830 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -0.3670 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.9770 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.2400 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 1.1160 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 1.7260 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 1.8650 -0.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 3.3180 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 3.8820 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 3.9980 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 4.5150 -2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 4.9170 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 4.8020 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 4.2890 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 5.2400 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 6.6530 0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 7.2860 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9940 6.6010 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8230 7.2300 3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 8.5420 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5090 9.2280 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6790 8.6050 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 9.3420 1.5450 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2530 9.1940 0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 10.0950 2.2400 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2570 -0.8940 0.1480 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3230 -2.0230 -0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -0.3030 0.4630 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4880 1.4560 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -0.9460 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -2.0320 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 2.7810 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 1.4230 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 3.5480 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 3.7610 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 3.6840 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 4.6050 -3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 5.3210 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 4.2030 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 4.6390 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 5.1080 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 7.1480 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1840 5.5760 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6600 6.6980 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2300 9.0320 4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3220 10.2520 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 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 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 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 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 26 1 M CHG 1 28 -1 M END