IFLAB-ZINC04163272 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3830 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.6900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0100 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4130 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0940 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 1.8380 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 0.6770 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.3890 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -1.3130 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 3.2100 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 4.1440 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 3.4640 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 2.5320 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2310 4.7290 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 4.9670 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 4.0270 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 4.2650 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3290 5.4390 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5180 6.3820 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1440 6.1540 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 7.1580 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 7.0000 -1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 8.2490 -1.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5510 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1740 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 0.6340 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 5.4740 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 3.1100 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4310 3.5320 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3920 5.6150 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9450 7.2960 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 8.3750 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 8.9090 -2.0860 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 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 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END