PUBCHEM-ZINC05714396 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 54 0 0 1 0 0 0 0 0999 V2000 -0.1640 -2.5470 -4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -3.4780 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -3.4290 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -4.9180 -3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -3.1950 -2.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -1.9900 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -1.0590 -2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -1.9850 -2.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -0.8610 -1.5610 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6010 -0.2830 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 0.0440 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 0.7990 -3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 1.8340 -4.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2510 3.4450 -5.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 3.9890 -6.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 3.9690 -6.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 5.0130 -7.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 5.6450 -7.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 5.2230 -7.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7040 6.2680 -7.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 7.6540 -7.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 6.1680 -7.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 6.0140 -9.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -1.3670 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.5870 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -1.5130 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -2.5300 -5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.8610 -4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -3.8010 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -4.0320 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -2.4120 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -5.0020 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -5.6110 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -5.2540 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -2.8420 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 0.7820 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -0.5550 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 0.0910 -3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 1.3060 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 2.5770 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 1.3360 -5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 4.7630 -7.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 3.6170 -6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 3.5680 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 7.7810 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 8.4500 -7.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 7.8060 -7.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 5.1740 -7.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 6.9160 -8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4270 6.3060 -6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 6.1370 -9.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 6.7060 -10.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 4.9890 -9.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 2.4670 -5.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -0.5070 -0.0850 O 0 5 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 54 2 0 0 0 0 15 42 1 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 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 55 1 0 0 0 0 M CHG 1 55 -1 M END