IFLAB-ZINC04270329 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0450 1.7300 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 0.2830 -0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -0.4090 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 0.1820 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -1.8800 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -2.5640 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -3.9400 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -4.6520 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -3.9930 -2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -2.6050 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -1.9380 -3.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -2.5300 -4.7790 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -1.5650 -5.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -3.8870 -4.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.5510 -5.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -1.4360 -6.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -1.4540 -6.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -2.5960 -6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -3.7020 -5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -3.6820 -5.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -4.6980 -5.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -3.9860 -6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -4.4340 -6.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -2.7780 -6.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -1.6950 -7.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -0.8620 -8.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.3140 -7.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 2.0190 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 2.0950 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 2.1620 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -2.0140 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -4.4660 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -5.7310 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -4.5560 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -1.1260 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.5620 -6.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -4.5430 -4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -5.6030 -6.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -4.9370 -4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 -2.1200 -8.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -1.0640 -6.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -1.4860 -8.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -0.0270 -8.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 0.3480 -6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 0.2440 -7.7980 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 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 36 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 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 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END