IBS-ZINC02156684 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.8540 1.7490 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 0.3200 -0.2930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8360 -0.1070 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.5340 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -2.0210 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -2.8520 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -3.0820 2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -3.8450 4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -4.3820 4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -4.1550 3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -3.3910 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 0.3460 -0.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -0.4690 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -1.2870 -2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -0.2820 -1.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 -1.0470 -2.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5830 -1.2940 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -2.3230 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -3.3420 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -4.8740 -0.5640 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -5.7460 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -0.2120 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 0.7540 -1.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 1.7650 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 2.3590 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 2.2300 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.4220 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.1600 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -2.1700 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -2.3950 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -2.6680 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -4.0200 4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -4.9780 4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -4.5730 3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -3.2210 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 0.9800 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 0.4510 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -2.0550 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 -2.7860 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -3.5900 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -2.9450 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -5.8910 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -5.1840 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -6.7260 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -0.5820 -3.4350 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 M CHG 1 45 -1 M END