PUBCHEM-ZINC06753376 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 28 0 0 1 0 0 0 0 0999 V2000 0.0500 1.5880 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 0.0620 -0.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6040 -0.2820 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.4830 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -0.9610 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -0.4180 -1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -0.9330 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -0.8600 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -0.3540 -3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -1.3970 -3.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -1.4420 -4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 -2.0940 -4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3400 -2.4830 -3.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 2.0980 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 1.2720 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 2.0250 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 1.9380 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -0.0070 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -1.9720 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -0.3280 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5780 -1.8100 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -0.4150 -5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -2.0100 -5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5540 -2.1560 -5.7700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7190 -0.5260 1.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0940 -0.5280 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 0.1500 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.4600 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 3.2240 -0.0450 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 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 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 25 1 M CHG 1 29 -1 M END