IFLAB-ZINC04340316 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 0.7550 1.4850 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 0.0190 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.4310 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -1.8000 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.7540 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -2.2880 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -0.9220 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -4.1450 -0.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -4.8220 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -4.4000 -2.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -5.5130 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -5.6440 -5.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -4.7260 -5.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -6.9560 -5.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -7.1200 -6.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -8.0050 -4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -7.9070 -3.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -6.6350 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -6.1780 -1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -6.9070 -0.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5580 -6.3860 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -7.0300 0.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3620 -7.1830 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -8.3650 1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2740 -8.2540 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -9.1790 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0320 -9.9480 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -8.2430 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -9.8400 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -10.3020 -1.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -9.4920 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -8.9360 1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -8.1660 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -6.0500 1.3390 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1540 1.8900 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.6690 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 2.0290 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 0.2790 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.1040 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -2.9970 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -0.6050 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -4.7010 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -8.9730 -4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -9.1450 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -10.6920 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 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 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 34 -1 M END