IFLAB-ZINC04140227 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.7130 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -2.1050 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -2.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -2.0670 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -0.7430 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -0.0730 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -0.0420 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -0.7640 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 0.2390 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 -0.5160 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5300 0.4210 0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8240 -0.1830 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -4.1600 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8550 -0.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6310 -3.1700 1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -3.1580 -1.0760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -0.4780 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 0.9280 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 -1.3860 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 -1.3960 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0490 0.8600 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 0.8700 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -1.1370 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5050 -1.1470 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5880 0.5940 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9450 -0.7980 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9280 -0.8070 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -4.6700 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -4.6210 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 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 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END