IFLAB-ZINC05257686 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.1620 1.9660 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.5500 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.2390 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -1.0730 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.0850 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -1.7930 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.4700 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -2.7560 -2.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -4.1050 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -4.7210 -1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.8460 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -6.3190 -3.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1790 -6.4260 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -6.9970 -4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -7.6380 -4.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -8.2220 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -9.0710 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -10.4320 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -12.6490 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 1.9980 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 2.4710 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 2.5200 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 1.0150 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -1.3090 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.0900 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.2160 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.4000 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -4.7490 -3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -4.3560 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -7.9200 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -8.7630 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -8.5490 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -9.2150 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -10.9700 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -10.3380 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -12.5770 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -13.1560 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -13.1560 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -6.8620 -5.1230 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8490 -6.9810 -2.1360 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2520 -6.2720 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -7.2400 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -11.2680 -0.3080 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9990 -10.8020 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -11.3340 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 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 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 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 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 43 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 43 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 40 1 M CHG 1 43 1 M END