IFLAB-ZINC02700772 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0440 1.3070 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.0750 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -0.7660 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -0.0250 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.3630 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 2.0370 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 1.7970 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 3.0630 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 3.1620 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 2.0230 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 0.7580 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 0.6660 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -0.4230 -0.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 -1.8090 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -2.2510 -1.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0010 -1.9040 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -3.7800 -1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -5.7020 -3.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2070 -6.2070 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -6.1220 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -5.8610 -4.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -6.3230 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -6.6880 -6.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 -5.9890 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 -4.9030 -3.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -1.7060 -1.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.7370 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 1.8260 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -0.6290 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -1.8450 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 3.1170 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 3.9580 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 4.1370 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 2.1160 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 -0.1200 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -1.9030 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -2.4210 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -4.1600 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -4.2490 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -5.6020 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 -7.1910 -4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -6.3620 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -4.7880 -3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -4.1960 -2.9090 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9540 -3.7240 -3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 -3.9260 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -6.2610 -4.7660 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3240 -7.1630 -3.7030 O 0 5 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 44 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 26 27 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 44 1 M CHG 1 47 -1 M CHG 1 48 -1 M END