PUBCHEM-ZINC05887710 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.7820 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -1.2260 -0.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -1.2740 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -0.8050 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.6580 2.7720 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 0.9960 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 1.7520 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 3.0440 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 3.5980 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 2.8570 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 1.5610 4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 3.4570 5.9330 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5840 4.6940 6.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 2.7540 6.8930 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6230 -1.7220 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -0.8300 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -3.1740 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.6020 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -1.8280 -2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -1.8350 -4.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -0.8420 -4.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.9420 -4.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 1.3220 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 3.6280 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 4.6120 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 0.9830 5.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -1.6470 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -1.1540 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 0.2040 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -0.9050 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -3.8090 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -3.4980 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -3.2480 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -0.3660 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 0.2130 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -3.7340 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.9460 -5.6340 H 0 0 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END