PUBCHEM-ZINC02047581 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.4590 1.8410 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 1.2440 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 0.2630 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -0.0700 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.5230 1.2680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9920 1.4500 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.0600 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -1.7650 -0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -1.6350 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -2.5990 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -3.5220 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -4.2330 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 -3.9990 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -3.0630 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -2.3540 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -1.3970 1.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 -5.2210 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5230 -4.8640 -1.2000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.5170 -3.9130 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1890 -5.5100 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -0.2660 -2.2070 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3220 2.5920 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.5520 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 1.8550 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -3.6890 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 -4.5350 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -2.8860 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.2120 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6940 -6.4430 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 -6.7000 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3280 -7.1570 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 5 1 M CHG 1 18 1 M CHG 1 21 -1 M END