IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.0510 1.3110 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 1.4030 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 1.2260 -2.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 1.6760 -1.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1080 0.4600 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 0.7110 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -0.1340 -3.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 2.0130 -3.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 2.7160 -2.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0250 3.0670 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 3.9250 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 5.1850 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 6.3170 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 6.1930 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 4.9480 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 3.8210 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 7.3800 0.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5340 8.4690 0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 7.2310 1.0760 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4080 2.6300 -4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 2.8380 -5.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 3.4820 -6.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 3.7590 -7.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 4.4300 -8.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 4.7780 -9.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 4.4960 -9.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -0.6090 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.4900 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 1.1220 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 2.2550 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 5.3010 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 7.2770 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 4.8330 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 2.8630 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 1.9810 -4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 3.5820 -3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 3.4760 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 1.8750 -5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 2.8200 -7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 4.4210 -6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 4.3990 -7.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 2.8170 -7.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 3.7740 -9.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 5.3610 -8.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 1.9740 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 5.3160 -10.9820 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 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 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 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 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 46 -1 M END