IFLAB-ZINC01871315 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0790 1.1220 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.2540 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.7950 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 0.0440 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 1.4370 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 1.9640 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 2.0270 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 1.0110 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -0.1820 -0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -1.0560 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 3.4970 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 3.9830 1.3850 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7900 3.3680 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 5.4200 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 6.2690 1.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 3.8770 2.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 3.3740 3.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 3.3900 3.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 2.2120 3.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 4.6090 4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 4.3000 5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 5.2680 6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 6.5470 6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 6.8570 5.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 5.8890 4.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 6.2220 3.8500 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1720 7.3100 3.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 5.4080 3.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0740 1.5300 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -0.9070 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.8670 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 3.0330 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 1.1190 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 3.6580 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 4.0520 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 4.1020 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 3.3000 5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 5.0260 6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 7.3040 6.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 7.8560 5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 5.7570 0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 6.6910 0.8830 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END