PUBCHEM-ZINC05631688 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 25 0 0 1 0 0 0 0 0999 V2000 0.0450 0.1810 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 0.9690 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.4900 -2.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 1.1070 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 1.8020 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 1.8800 -2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 2.4730 -3.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 3.0790 -4.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5710 2.3230 -4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 3.4840 -5.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 2.3180 -6.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 1.1560 -5.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 1.0630 -4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 0.3620 -6.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 2.4170 -7.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 4.2400 -4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 3.8660 -3.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -0.4420 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.4790 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 0.8700 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 0.6250 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 2.7610 -2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 2.5540 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 4.1710 -6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 4.0010 -5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 5.3750 -4.5940 O 0 5 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 26 -1 M END