IBS-ZINC02108229 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 0.0620 1.6780 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.1550 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -0.1770 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.4100 0.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8090 0.0510 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -0.0960 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.9600 -2.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -1.8700 0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -2.3970 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -2.4990 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.9230 2.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -3.8690 1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -4.7490 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -6.2160 2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -7.1350 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -8.5910 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -9.2480 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -10.5940 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -11.2930 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -10.6500 2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -9.3040 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 2.0670 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 1.9640 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 2.1820 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.2940 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 0.1870 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -1.2550 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 0.2850 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -4.2560 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -4.4860 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -4.5450 3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -6.4480 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -6.3940 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -6.8950 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -6.9600 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -8.7140 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -11.0970 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -12.3400 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -11.1960 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -8.8130 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 0.9480 -1.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M CHG 1 41 -1 M END