IFLAB-ZINC00077946 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.6690 1.6220 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 0.1500 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.2230 0.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.3390 0.9320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2750 -2.2760 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -1.3510 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.9300 -1.5810 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -1.1820 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -0.0790 2.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -2.2680 2.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -2.1160 3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -2.9820 4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.8300 6.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -1.8160 6.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 -0.9520 5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.1030 3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 0.1320 5.1180 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4550 0.2620 6.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 0.8930 4.1750 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5030 0.4170 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 0.0070 3.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.1110 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 1.7850 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 1.8830 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 2.2460 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5890 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -2.3380 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -3.1550 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -3.7740 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -3.5030 6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 -1.6980 7.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 -0.4310 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 1.2940 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 0.1460 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -1.1650 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 0.5000 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END