IFLAB-ZINC05154973 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -0.7970 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -1.2480 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -1.5310 -2.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -1.3630 -3.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -1.6730 -4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -1.0420 -3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.6250 -2.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -1.1950 -4.9610 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -0.6540 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -0.7040 -5.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -1.8600 -5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -1.8950 -6.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -0.7610 -7.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 0.3590 -7.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 0.3580 -6.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -0.6940 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -1.3120 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 0.3670 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -2.7260 -5.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -2.7850 -6.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -0.7530 -8.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 1.2470 -7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 M END