IBS-ZINC04598841 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.2920 0.9390 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.2460 -0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -0.7320 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 0.0810 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -0.4570 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -1.8140 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -2.6380 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -2.1040 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -2.9910 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -3.1610 1.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -4.3110 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -3.9890 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -2.6330 3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -2.1260 1.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.8550 4.3050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3570 -6.0420 4.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -4.3460 5.3640 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1350 -2.4030 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 -1.6680 -0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3390 -2.3640 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5890 -1.7270 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7180 -0.3310 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 0.2680 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1070 -0.5230 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9970 -1.9140 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7450 -2.5320 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6270 -4.0430 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -4.5080 0.3180 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3790 1.0480 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 1.8190 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 0.8810 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 1.1320 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 0.1850 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -3.6950 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -3.9840 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -2.6040 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -5.2340 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -1.9920 3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -3.5000 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4350 -3.4150 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 0.2920 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0540 1.3510 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0820 -0.0580 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8900 -2.5250 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6890 -4.7260 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 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 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 45 2 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 28 -1 M END