PUBCHEM-ZINC05996517 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 1 0 0 0 0 0999 V2000 0.0140 2.1380 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 0.9850 1.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0040 -0.0040 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 0.8820 2.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2610 0.6840 2.6680 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6560 0.9130 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 1.5950 1.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0420 2.6330 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 1.5210 0.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9650 1.9020 0.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8510 2.9590 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 1.7830 -1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 2.2020 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 2.4220 -0.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 2.3160 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 1.1590 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 0.2030 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -1.5590 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 2.0330 3.2210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1070 1.4010 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 2.3900 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 3.0490 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -0.0370 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 0.5270 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -2.5760 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 -1.2030 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -1.6100 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.5410 1.4120 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2160 0.8280 1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 2.2120 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -0.7130 2.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -1.1190 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 28 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 19 -1 M CHG 1 28 1 M END