IBS-ZINC05187080 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.0700 1.5330 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.0100 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -0.4740 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 0.0850 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 1.6170 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 2.1040 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -0.3350 2.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -0.5320 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -1.0960 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 -1.2650 3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 -0.8890 2.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 -0.3620 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -0.1800 1.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 0.0220 0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4330 -0.1380 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9330 0.3490 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4410 0.1790 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 -1.8060 4.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -1.4940 4.7360 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7040 -2.3050 5.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.9990 4.9150 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6160 1.8440 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.9470 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.3600 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.4100 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.1740 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -1.5710 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.3250 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 2.0360 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 2.0100 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 1.8090 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.1990 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.4510 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 0.4120 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 0.4340 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7030 -1.1940 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 -0.2110 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 1.4040 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 0.7720 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7420 -0.8700 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -2.1960 5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0640 -1.8350 4.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8950 0.6580 -2.6570 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9140 0.5560 -2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 1.6530 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4560 0.1270 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 43 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 43 1 M END