IFLAB-ZINC04482868 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 0.8890 0.1460 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.1340 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -1.5830 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -2.2250 -0.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -2.8650 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -3.4010 -2.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -4.0190 -2.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -4.6030 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -4.6630 -4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -3.6100 -4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -3.7170 -5.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -4.8670 -6.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -5.9100 -6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -5.8080 -5.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -4.9770 -7.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -4.0060 -7.8090 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6240 -2.9320 0.1810 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 0.4010 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 0.9640 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -1.9150 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -2.2820 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -0.7340 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -2.2080 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -5.1570 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -2.6930 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -2.8910 -5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -6.8090 -6.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -6.6340 -5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -3.6100 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -6.0330 -8.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 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 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 30 2 0 0 0 0 17 29 1 0 0 0 0 M CHG 1 16 -1 M END