PUBCHEM-ZINC05141169 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -1.0910 0.9830 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -0.2690 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.5910 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 0.2030 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.2000 3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -1.4050 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.2070 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -1.8180 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -2.5710 -0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -3.9800 0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2730 -4.1370 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -4.5580 -1.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1060 -4.2540 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -6.0830 -0.9160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8430 -6.3880 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -6.6850 -0.9020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5970 -6.5120 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -6.0420 0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4390 -6.2200 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -4.6280 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -6.6940 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -6.0070 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -8.1020 -0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -8.3720 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -6.5970 -2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -7.5560 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -4.0540 -0.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -4.5740 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 0.5870 4.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 1.8130 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 1.0850 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 1.0250 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 1.1470 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -1.7290 3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -3.1230 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 1.4660 4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 0.3010 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -7.8950 -0.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 0 0 0 0 M CHG 1 38 -1 M END