IFLAB-ZINC04279714 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0380 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.0040 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.5130 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -0.5330 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.4900 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -1.9280 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -2.7360 -0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -2.3490 -2.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -1.4230 -3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -1.5330 -4.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -0.3640 -5.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 0.5570 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -0.0830 -3.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 0.3650 -2.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -3.7200 -2.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -4.1220 -3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -5.5630 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -6.4970 -3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -7.8430 -3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -8.2690 -4.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -7.3490 -5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -6.0000 -5.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -7.8140 -7.0280 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4950 -9.0050 -7.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -7.0060 -7.8250 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9850 1.9020 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.8870 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.8770 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -0.1610 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.6030 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -0.1360 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.1710 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -1.6230 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -0.1820 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 1.6250 -4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -3.4020 -4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -6.1670 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -8.5670 -2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -9.3240 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -5.2820 -6.1850 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 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END