PUBCHEM-ZINC01531686 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0140 1.4640 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0050 0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7750 -0.5130 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.8020 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -1.4070 1.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0570 -2.2900 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.5200 0.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6090 -1.1120 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 0.6280 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 1.4540 1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.6680 2.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -0.4720 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 1.8430 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.8310 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 1.8070 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -0.7450 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 0.2170 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -2.6460 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.0220 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -1.1590 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -0.0850 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -1.5610 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.1150 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 0.7340 -0.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 1.4870 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 2 1 M END