IFLAB-ZINC02722849 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 0.0910 0.6730 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 0.0890 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -0.1680 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 0.1130 0.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 0.6890 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 0.9660 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 0.9880 -1.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 0.7060 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 0.1460 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -0.1870 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -0.6850 2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -0.0280 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1530 0.4140 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 1.0320 -1.5380 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 0.3790 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 -0.1090 0.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 0.9470 -1.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 0.9420 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3880 1.8980 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4830 2.4110 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9850 2.1400 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6360 2.5360 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1400 1.8020 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6440 2.0500 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 0.8690 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -0.1360 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.6100 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 1.4070 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 -0.4590 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 1.3600 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0650 -0.0860 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 1.2180 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2240 2.9460 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9930 1.7420 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 2.0530 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2780 3.4760 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4250 2.7180 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1900 1.0800 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6910 2.1350 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3510 0.7350 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4370 3.1100 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2600 1.4380 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8890 1.6690 -0.2040 N 0 3 0 0 0 0 0 0 0 0 0 0 13.0350 0.6640 -0.0310 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END