IFLAB-ZINC02461654 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.6340 1.4700 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -0.0300 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -0.7420 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -2.0970 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -2.7600 -0.0310 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0980 -2.1100 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.7250 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -3.0060 -2.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -2.7810 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -4.2670 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.0850 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -5.0560 0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -6.2950 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -6.5130 -0.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -7.3890 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -8.6740 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -9.6900 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -9.4390 3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -8.1680 3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -7.1410 2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -10.5350 4.2100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5900 -11.7460 3.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -10.2990 5.4150 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4200 -5.4590 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -5.8560 -3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -7.0670 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -7.6940 -3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -6.7480 -1.8340 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.7270 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 1.8880 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 1.8780 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.2250 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.6480 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -0.1980 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -4.8610 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -8.8720 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -10.6850 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -7.9780 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -6.1480 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -5.2470 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -7.5190 -4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -8.6690 -3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 5 1 M CHG 1 21 1 M CHG 1 23 -1 M END