IFLAB-ZINC04139244 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.0100 1.5030 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.0040 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -0.6840 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.0650 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.7710 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -2.0850 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -0.7040 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -4.8390 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -4.2300 -2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -6.3430 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -6.8480 -2.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5900 -6.4640 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -8.3540 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -8.9750 -3.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -6.3080 -4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -5.8260 -5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -4.4710 -5.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 -4.0740 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -5.0350 -6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -6.3160 -6.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -6.7300 -5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 1.8610 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 1.8620 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 1.8760 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -0.1340 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -2.5950 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.6310 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.1700 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -4.6580 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -6.7620 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -6.6520 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -7.2970 -5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -5.6130 -4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -3.7420 -5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -3.0270 -6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -4.7340 -6.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -7.7870 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -9.0060 -2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -6.3800 -3.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -6.9680 -2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -9.9720 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 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 31 1 0 0 0 0 11 32 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 33 1 0 0 0 0 16 34 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 M END