PUBCHEM-ZINC05116898 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3420 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.3820 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -1.2920 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.7470 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.9190 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -1.1210 -1.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8710 -1.4830 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -2.1310 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -1.8180 -1.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 0.1530 -1.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 0.6640 -3.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 1.9750 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 2.4840 -2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 3.7610 -3.2200 N 0 5 0 0 0 0 0 0 0 0 0 0 -4.5400 4.1180 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 0.0250 -3.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.9650 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 0.7930 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -1.8820 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.4730 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 2.7050 -3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 1.8310 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 1.7540 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 2.6280 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 0.4840 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -3.3770 -0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -3.9900 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 23 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 1 0 0 0 0 18 27 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 16 -1 M END