IFLAB-ZINC04159870 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 0.2510 1.8230 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.5200 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.3380 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 0.1110 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 1.4140 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 2.2680 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -0.8350 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -2.0200 -0.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -0.2520 -0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -0.9080 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 -0.1480 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4590 -0.8190 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 -2.1310 -0.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -2.7570 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -2.2350 -0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4100 0.1470 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 1.3340 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4380 1.1960 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8450 -0.0550 0.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0380 -0.9810 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5510 -0.1530 1.4440 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5090 -1.2070 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9940 0.1670 1.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5030 -0.7510 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8540 1.1120 -0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5160 0.7840 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5010 0.9860 -0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 2.5880 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0180 3.3310 -1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1920 3.0190 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7190 0.7250 2.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 1.0050 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 0.7870 2.3170 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6050 2.4900 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 0.1720 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -1.3540 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 1.7760 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 3.2800 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 0.7390 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5050 -3.8250 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2760 2.2560 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3830 3.0080 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1230 2.7480 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 33 -1 M END