IBS-ZINC06645702 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.6620 1.0090 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.4000 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.6880 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -2.0260 0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -2.5110 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -1.7820 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -2.3600 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -3.6830 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -4.4080 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -3.8350 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -4.4840 -0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -5.7660 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -6.2180 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -4.3640 0.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4640 -5.4250 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -3.8500 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -4.2370 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6360 -3.0820 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0970 -3.4120 -2.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4520 -2.7570 -3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0100 -4.7690 -3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -5.3170 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 -6.7130 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -7.5020 -3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1670 -6.9230 -4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 -5.5440 -4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 1.1870 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.7530 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.1660 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.5490 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -1.1280 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.5810 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 0.0140 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -0.7540 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -1.7400 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -5.4310 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -6.4880 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -5.7090 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -6.2680 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -7.2030 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -5.5030 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -3.9420 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 -2.8120 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 -2.0470 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 -7.1880 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 -8.5770 -2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4380 -7.5510 -4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8060 -5.0950 -5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8710 -4.6520 1.4390 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.5380 -4.2970 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7030 -5.6450 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3390 -4.6090 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 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 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 36 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 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 49 1 M END