IBS-ZINC04678041 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.6540 1.3960 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.0320 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.6830 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 0.0420 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -0.6070 3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.0790 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 1.4060 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.0540 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 1.3800 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.6890 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -0.0600 -2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.7090 -3.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -0.0580 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 1.0940 -4.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -0.7400 -6.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.2100 -7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -1.2430 -8.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.2860 -7.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.0220 -6.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -2.6410 -5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -1.1690 -9.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 0.0340 -10.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 0.0970 -11.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -1.0330 -12.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -2.2300 -11.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -2.3020 -10.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -3.4360 -12.6190 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1800 -3.3720 -13.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -4.4910 -12.0870 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2030 2.0690 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 1.5930 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 1.5570 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -1.7370 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -1.6420 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.4200 5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 1.9380 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 3.0890 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 1.8860 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.7120 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -1.6280 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 0.7850 -7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 0.9170 -9.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.0290 -12.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.9800 -13.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -3.2370 -9.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 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 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END