IFLAB-ZINC04263179 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.0270 2.0820 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.5850 0.2150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6260 0.4550 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.2480 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -0.8770 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 0.0100 1.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3080 1.0200 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 0.0870 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -0.5630 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -1.0720 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.4640 4.9770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0820 -0.8340 5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.7230 6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.1480 7.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.2740 8.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -0.8830 8.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -0.9590 10.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -0.4090 11.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 0.1980 10.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.2670 9.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.6690 12.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.6810 13.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -0.4020 12.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.9560 4.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 1.3580 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 2.4790 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 2.6210 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 2.3110 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -1.2770 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 0.1970 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -0.8790 3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -1.9040 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -0.6370 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 0.0690 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -1.5580 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -0.8720 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -2.1460 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -1.8020 6.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.2280 6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -1.3140 7.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -1.4400 10.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 0.7300 9.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.6640 12.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -0.0500 12.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 1.6610 13.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 0.5340 14.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.3770 12.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -0.1380 12.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -0.3390 2.5320 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2730 0.6150 2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END