PUBCHEM-ZINC05408397 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.5110 1.5830 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.1100 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 0.0320 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -0.8500 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -2.0620 1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -2.6800 1.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6970 -2.6310 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -1.8570 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -4.1860 1.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9660 -4.7930 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -4.9480 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -5.5480 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.9750 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -5.8020 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -5.2080 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -4.9100 2.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -4.2910 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -3.8810 3.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -5.0270 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -4.3330 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -2.8280 1.8590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7410 -2.5440 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -2.2960 -0.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -5.1150 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -5.1400 -1.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -6.4050 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -7.4800 2.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 1.7750 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 1.8990 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 2.2140 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -0.0860 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.4750 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 1.0720 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.0150 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -0.4290 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -2.0280 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -2.0870 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -4.6240 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -5.6910 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -6.4440 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -6.1230 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -5.1150 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -2.4930 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.3680 1.1390 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5200 0.0850 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -5.0400 2.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -4.4850 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 44 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 46 2 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 3 0 0 0 0 24 25 3 0 0 0 0 26 27 3 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 44 1 M END