IBS-ZINC06645545 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -0.0340 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -0.8220 -2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -2.6890 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.0980 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -4.1960 0.4960 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3520 -4.5530 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -4.6950 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -6.2250 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -6.7800 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -6.1910 1.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -4.7280 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -7.1580 0.5770 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -6.3950 -0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -8.4230 0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 -7.4120 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 -6.5400 1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0440 -6.7400 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9270 -7.8110 3.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 -8.6830 3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -8.4860 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.4710 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -4.2980 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -4.3580 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -6.5630 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -6.5790 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -7.8640 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -6.5190 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -4.3000 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -4.4590 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1880 -5.7030 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 -6.0580 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6680 -7.9660 4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 -9.5200 4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -9.1700 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 1.2850 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 1.5570 -2.2090 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 4 1 0 0 0 0 2 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 48 49 1 0 0 0 0 M END