PUBCHEM-ZINC05157326 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.0790 1.1340 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.2320 0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2310 -0.9560 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.4700 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -3.1290 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -4.6450 -0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8430 -5.1150 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -5.3250 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -6.0970 0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -0.4470 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -0.8290 -1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 1.5240 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 1.8850 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -0.7540 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -0.5510 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -2.6620 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -2.9160 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.8790 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -2.6950 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -0.0120 1.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -0.0410 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -5.0510 -1.1360 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9680 -5.0260 1.2950 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0520 -5.4810 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -4.2820 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -5.7460 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -0.2230 -0.1550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 20 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 27 -1 M END