PUBCHEM-ZINC05501244 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 48 0 0 1 0 0 0 0 0999 V2000 -1.2310 0.6200 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.7360 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -1.8570 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 1.7590 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 3.1090 -0.6990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5550 3.2410 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.2440 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 4.1770 -0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 4.2260 -1.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 4.6950 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 4.1930 -2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 5.9940 -3.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5650 6.3220 -3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 5.8140 -4.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 6.9970 -5.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 6.6480 -6.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 8.7320 -7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 8.8820 -6.2360 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1330 9.6190 -6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 8.2600 -5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 9.5900 -8.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 9.5170 -9.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 10.3260 -8.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 0.8010 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 0.5880 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -0.7530 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.8860 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -1.8760 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -1.7980 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 1.5240 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.8100 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 4.6310 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 5.6250 -3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 4.9120 -4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 7.2670 -5.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 7.8800 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 6.3700 -5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 5.7800 -6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -3.1580 -0.9010 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9930 -3.2370 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -3.9340 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -3.2980 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 2.4650 0.9880 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6570 7.7410 -7.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 7.6760 -8.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 7.0780 -2.1410 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9470 7.1780 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 7.9950 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 6.8510 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 39 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 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 18 1 M CHG 1 39 1 M CHG 1 43 -1 M CHG 1 46 1 M END