IBS-ZINC05046794 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 -0.1300 1.5110 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 0.1280 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -0.5870 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.0910 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 1.4850 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 2.1950 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 2.2700 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 2.3380 1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 2.9350 -1.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 3.8900 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 3.6940 -2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 3.7420 -3.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 2.6730 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.7970 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.6110 0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -2.0670 0.2800 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6210 -2.3090 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.7520 0.9320 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4910 -2.7470 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -2.0750 0.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3120 -2.2480 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -2.8840 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -4.0580 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -4.2010 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -2.5030 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -1.6590 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 2.0500 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.3990 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 3.2760 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 4.8850 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 3.8270 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 4.4940 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 2.7390 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 2.7200 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 1.7150 -3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 1.9360 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 3.7070 -2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 -0.1510 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -2.5770 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -4.8240 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -4.6370 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -4.8540 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 -3.6280 1.4780 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 43 -1 M END