PUBCHEM-ZINC05846701 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 0.6290 1.3140 -3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -0.1590 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -0.5960 -1.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9410 0.0780 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -0.5560 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.0220 -1.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3300 -2.0720 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.4030 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -3.0040 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -4.1600 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -5.0870 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -6.0430 -3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -6.8760 -4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -6.7700 -5.2870 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6230 -5.8720 -5.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -5.0060 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -4.0870 -4.8130 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0210 -5.7920 -6.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -6.1750 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -7.2260 -1.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -7.6450 -0.4540 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -7.9560 0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 1.9220 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 1.4420 -3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.6250 -3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -0.2870 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.7670 -3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 -1.2300 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 0.4590 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -0.8680 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -3.8840 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -4.6630 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -7.6240 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -7.3670 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -6.4470 -6.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -4.7660 -7.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -6.1050 -7.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -5.2370 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -6.4050 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.0740 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.9500 -2.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -2.5000 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -8.9420 -0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 -6.4270 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 -6.1690 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -9.2510 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -2.3400 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 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 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 41 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 40 47 1 0 0 0 0 41 42 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 14 1 M CHG 1 17 -1 M END