IFLAB-ZINC04279497 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.4420 1.6840 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.8640 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 0.8500 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 0.0990 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -0.6410 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -0.6300 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 0.1300 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -1.3780 -3.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -1.6780 -3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.3750 -3.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -2.3470 -5.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -1.6750 -6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -2.3210 -7.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -3.6370 -7.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -4.3200 -9.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -4.4400 -6.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -3.8390 -5.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1840 -4.0450 -4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -4.5340 -4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -5.0790 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -5.7170 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -5.8100 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -5.2630 -4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -4.6210 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -6.4380 -2.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -0.1890 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.4610 -2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.0780 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 2.0140 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 2.5530 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 1.4280 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 0.0900 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 0.1450 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -1.6810 -3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -1.7970 -8.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -5.3910 -6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -5.0070 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -6.1430 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -5.3340 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -4.1900 -6.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -5.8540 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.3390 -6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 0.0940 -7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.0760 -5.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -0.8490 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -2.3200 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -1.8060 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 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 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END