PUBCHEM-ZINC04556703 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 33 0 0 1 0 0 0 0 0999 V2000 0.6140 0.5120 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.3650 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 0.3890 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -0.8070 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -1.6250 -0.8440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5380 -1.0850 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -2.0410 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -2.4490 0.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -2.0970 -1.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.0360 -2.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3750 -3.3130 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -4.2770 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -5.0090 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -4.4280 -2.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -2.4060 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 -1.4700 -3.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 0.8760 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -0.0460 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.3830 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.2540 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.2380 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.6760 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 1.2990 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -1.3850 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 0.0810 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -1.5010 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -4.9800 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -4.0000 -3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -6.1050 -1.5560 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.0870 -2.8820 -3.0780 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8470 -2.8770 -0.9720 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7880 -3.4040 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.7860 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -3.5950 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 30 -1 M CHG 1 31 1 M END