PUBCHEM-ZINC06563385 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.6810 1.0550 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.1300 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 0.8780 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -0.9880 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -0.5590 -1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 0.1320 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 1.3450 -1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -0.7480 -1.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -0.3910 -2.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7700 0.5320 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -0.2410 -4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9160 -4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 2.2220 -4.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 3.2990 -4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 3.0640 -5.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 1.7770 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 0.6980 -4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 1.6340 -5.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 4.1030 -5.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -1.5220 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -2.6690 -2.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 1.9120 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 0.5220 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 1.4480 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.2640 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.2200 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.7300 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.5690 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.6950 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -0.5900 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -1.7440 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -0.1050 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -1.1680 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 2.4020 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 4.3070 -4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -0.3080 -4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.6950 -5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 3.6650 -5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -1.1640 -2.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 39 -1 M END