IBS-ZINC05156509 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0970 1.5010 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.7170 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -2.1240 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.7830 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -2.0710 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.6850 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 0.0600 -2.4480 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9940 -0.4270 -3.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 1.2110 -2.6090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1640 -0.0230 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -0.3060 3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 0.5720 4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.4230 3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.0020 2.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.4640 4.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 3.1910 3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 4.3330 4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 4.7740 5.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 4.8210 3.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 4.2880 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 2.9670 2.3180 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 4.6760 1.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 5.7900 1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 5.3230 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 4.7710 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 3.6130 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 3.9890 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 1.9060 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 1.8430 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 1.8420 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6800 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -3.8620 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.6000 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -1.0790 3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 0.6340 5.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 2.7120 5.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 6.6390 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 6.0810 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 6.1710 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 4.5630 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 3.2300 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 2.8460 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 3.0870 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 4.6530 -0.7010 H 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END