PUBCHEM-ZINC06816810 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.4730 1.3020 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -0.1390 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.7350 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -2.0810 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.8220 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -4.0230 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.1980 -1.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -0.8730 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -0.3310 -2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -2.9690 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -2.7470 2.4430 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7460 -2.1170 3.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -3.9240 2.4430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2390 0.0140 2.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 1.1190 2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 1.8240 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 1.4420 4.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 1.8350 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 1.5240 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 1.6190 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -4.0170 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -2.8800 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -2.5830 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -0.1880 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 0.7280 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.8230 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 2.8760 3.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 3.2950 4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END