PUBCHEM-ZINC05728905 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1850 3.9450 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 4.1120 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 5.1430 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 5.3320 -3.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 6.0010 -3.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 4.4110 -3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 3.6860 -2.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 5.8920 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 5.5550 0.7590 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 6.0320 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 6.0600 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 5.2970 2.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 4.2940 -4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 5.5830 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 6.9650 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 4.0980 0.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 3.8320 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 7.3560 2.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 7.6330 2.9120 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END