IFLAB-ZINC05258773 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 -0.4820 1.6410 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.1120 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.3700 -1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -1.7170 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.5550 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -3.9230 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -4.4600 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -3.6200 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -2.2520 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -4.1910 -2.8840 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0750 -3.4620 -3.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -5.3900 -3.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1200 -5.8480 -1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -6.6690 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -6.2120 0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -8.1560 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -8.8530 0.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7470 -8.5750 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -10.3460 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -11.0000 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -8.5740 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -8.1360 3.8710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9270 -8.7040 3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -8.3920 5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -6.7420 3.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 1.9560 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 2.0460 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 2.0080 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -0.2920 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.2030 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.1380 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -4.5760 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -1.5980 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -6.2180 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -8.5290 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -8.3620 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -9.6140 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -7.9450 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -9.4550 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -8.0800 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -7.8230 5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -6.1740 3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -10.9500 -0.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -8.4400 1.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -8.9630 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -11.9100 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END