IBS-ZINC00158666 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.1410 1.2110 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.1800 0.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 0.0210 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.5110 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 0.0260 -0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -0.9750 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -0.9840 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -2.1510 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -3.2450 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -3.3490 0.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -2.1670 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -1.8810 0.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -2.8700 0.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6310 -2.4020 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -3.5970 1.8920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2380 -3.8490 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -4.9200 1.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2670 -5.7460 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -5.1710 0.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6380 -5.5780 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -3.8970 -0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -6.0790 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -6.1040 -1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -5.1610 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -4.7150 1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -3.9560 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -2.9760 2.7180 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.4710 0.1440 -0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 1.3720 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.9380 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 2.1580 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 0.9840 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.3130 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -0.6670 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -4.1610 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -7.1020 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -5.7220 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 1.0170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4730 0.0630 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 M CHG 1 27 -1 M END