IFLAB-ZINC05016968 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.1680 -0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7120 1.5740 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 3.3860 -0.0160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1860 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.6810 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -2.9240 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -3.3540 -3.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -3.4850 -3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -3.0480 -2.4040 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -3.9230 -4.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -4.2480 -5.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -4.1580 -5.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -4.7220 -7.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -5.0770 -8.3620 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -5.5960 -9.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -5.9560 -10.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -6.3510 -11.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -6.3850 -12.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -6.0010 -10.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -5.6210 -9.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -2.5390 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.5630 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -2.7810 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -3.9940 -5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -5.6270 -7.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.9460 -7.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -6.6440 -12.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -6.7030 -12.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -6.0160 -10.8630 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END