IBS-ZINC06645560 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.7050 0.4730 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.9500 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -1.0370 0.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -1.3690 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -1.5110 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -1.3150 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -1.4930 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -0.8940 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.7620 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.3500 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -0.0940 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -0.2310 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -0.6330 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 0.0750 4.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 0.4280 5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 0.3180 4.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -1.8380 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -2.0710 -3.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -1.8310 -2.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 -2.0750 -3.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3950 -1.7950 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -3.5390 -3.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -4.5780 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -5.9920 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -4.4210 -5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -1.2310 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 -0.8400 -2.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.5170 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 0.8270 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 1.1710 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.6030 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -1.3330 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -1.5030 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.2100 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -0.7340 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 1.4630 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -0.2300 6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -1.6170 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -3.7910 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 -3.6490 -4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -4.4670 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -6.1760 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -6.7450 -4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 -6.1440 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 -4.4990 -6.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -3.4560 -5.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -5.1990 -5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8180 -1.0340 -4.8610 O 0 5 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 48 -1 M END