PUBCHEM-ZINC06403487 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3590 -1.7590 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -2.3310 -3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -2.9830 -4.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -4.3280 -5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -4.9290 -6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -4.1510 -7.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -4.6710 -8.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -2.8280 -6.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -2.2880 -7.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -2.2540 -5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -1.0590 -5.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -6.3830 -6.3850 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7330 -7.0450 -5.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -6.9170 -7.3440 O 0 5 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -2.8580 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.2960 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -4.9060 -4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -3.7870 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -3.7470 -2.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -4.3250 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END